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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (16)transporters (7) Show 23 proteins XML

enzymes (16)transporters (7) Show 23 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:41:54 UTC

HMDB ID

HMDB0000121

Secondary Accession Numbers

HMDB00121

Metabolite Identification

Common Name

Folic acid

Description

Folic acid or folate, is a vitamin that belongs to the class of compounds known as pterins. Chemically, folate consists of three distinct chemical moieties linked together. A pterin (2-amino-4-hydroxy-pteridine) linked by a methylene bridge to a p-aminobenzoyl group that in turn is linked through an amide linkage to glutamic acid. It is a member of the vitamin B family and is primarily known as vitamin B9. Folate is required for the body to make DNA and RNA and metabolize amino acids necessary for cell division for the hematopoietic system. As humans cannot make folate, it is required in the diet, making it an essential nutrient (i.e. a vitamin). Folate occurs naturally in many foods including mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid, being biochemically inactive, is converted to tetrahydrofolic acid and methyltetrahydrofolate by the enzyme known as dihydrofolate reductase. Tetrahydrofolate and methyltetrahydrofolate are transported across cells by receptor-mediated endocytosis where they are needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids and generate formic acid. Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia. Folic acid is also used as a supplement by women during pregnancy to reduce the risk of neural tube defects (NTDs) in babies. Low levels in early pregnancy are believed to be the cause of more than half of babies born with NTDs (PMID: 28097362 ). Folic acid is also a microbial metabolite produced by Bifidobacterium and Lactobacillus (PMID: 22254078 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

158
  Mrv1652305271900122D          

 32 34  0  0  1  0            999 V2000
   12.8598    0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1501   -1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8502    2.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213    2.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180   -0.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -2.7322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    0.2231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4277    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1406    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1469   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2922   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730    0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
  6 31  2  0  0  0  0
 14  7  1  1  0  0  0
  7 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
M  END

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END

158
  Mrv1652305271900122D          

 32 34  0  0  1  0            999 V2000
   12.8598    0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988    1.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1501   -1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8502    2.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4213    2.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180   -0.1921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -2.7322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309    0.2231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4277    1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1406    1.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1469   -0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2922   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730    0.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  5 27  2  0  0  0  0
  6 31  2  0  0  0  0
 14  7  1  1  0  0  0
  7 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 29  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000121

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1

> <INCHI_IDENTIFIER>
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

> <INCHI_KEY>
OVBPIULPVIDEAO-LBPRGKRZSA-N

> <FORMULA>
C19H19N7O6

> <MOLECULAR_WEIGHT>
441.3975

> <EXACT_MASS>
441.139681375

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
42.056565993428265

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
-0.682200202289524

> <ALOGPS_LOGS>
-3.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.173198454797142

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3738517754186743

> <JCHEM_PKA_STRONGEST_BASIC>
2.086519926687477

> <JCHEM_POLAR_SURFACE_AREA>
208.99000000000004

> <JCHEM_REFRACTIVITY>
111.01120000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.61e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
folate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 158                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      24.005   0.427   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      18.664   1.946   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      22.680  -1.888   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      23.987   5.047   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      21.320   5.036   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       6.574  -0.427   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      20.007  -0.359   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      13.347  -2.694   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       9.285  -1.913   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       6.574  -5.047   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       9.285  -5.100   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       5.241  -2.737   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       3.907  -5.047   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      21.338   0.416   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.332   1.956   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.662   2.732   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      18.670   0.406   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.339  -0.369   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.674  -0.348   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.678  -1.919   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.011  -1.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.345  -1.909   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.003   0.396   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.015  -2.684   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.672  -0.379   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.680  -2.705   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      22.656   4.271   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.908  -2.737   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.908  -4.277   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.680  -4.309   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.574  -1.967   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.241  -4.277   0.000  0.00  0.00           C+0
CONECT    1   19                                                            
CONECT    2   17                                                            
CONECT    3   19                                                            
CONECT    4   27                                                            
CONECT    5   27                                                            
CONECT    6   31                                                            
CONECT    7   14   17                                                       
CONECT    8   20   21                                                       
CONECT    9   26   28                                                       
CONECT   10   29   32                                                       
CONECT   11   29   30                                                       
CONECT   12   31   32                                                       
CONECT   13   32                                                            
CONECT   14    7   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   27                                                       
CONECT   17    2    7   18                                                  
CONECT   18   17   22   23                                                  
CONECT   19    1    3   14                                                  
CONECT   20    8   24   25                                                  
CONECT   21    8   26                                                       
CONECT   22   18   24                                                       
CONECT   23   18   25                                                       
CONECT   24   20   22                                                       
CONECT   25   20   23                                                       
CONECT   26    9   21   30                                                  
CONECT   27    4    5   16                                                  
CONECT   28    9   29   31                                                  
CONECT   29   10   11   28                                                  
CONECT   30   11   26                                                       
CONECT   31    6   12   28                                                  
CONECT   32   10   12   13                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END

COMPND    HMDB0000121
HETATM    1  N1  UNL     1      10.412  -1.454   0.427  1.00  0.00           N  
HETATM    2  C1  UNL     1       9.024  -1.249   0.253  1.00  0.00           C  
HETATM    3  N2  UNL     1       8.188  -2.317   0.072  1.00  0.00           N  
HETATM    4  C2  UNL     1       6.871  -2.142  -0.096  1.00  0.00           C  
HETATM    5  O1  UNL     1       6.106  -3.117  -0.262  1.00  0.00           O  
HETATM    6  C3  UNL     1       6.304  -0.878  -0.093  1.00  0.00           C  
HETATM    7  N3  UNL     1       4.992  -0.679  -0.261  1.00  0.00           N  
HETATM    8  C4  UNL     1       4.493   0.588  -0.250  1.00  0.00           C  
HETATM    9  C5  UNL     1       3.013   0.787  -0.464  1.00  0.00           C  
HETATM   10  N4  UNL     1       2.246   0.425   0.692  1.00  0.00           N  
HETATM   11  C6  UNL     1       0.831   0.402   0.617  1.00  0.00           C  
HETATM   12  C7  UNL     1       0.042   0.009   1.674  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.326  -0.029   1.569  1.00  0.00           C  
HETATM   14  C9  UNL     1      -1.997   0.324   0.388  1.00  0.00           C  
HETATM   15  C10 UNL     1      -3.450   0.245   0.325  1.00  0.00           C  
HETATM   16  O2  UNL     1      -4.045  -0.450   1.175  1.00  0.00           O  
HETATM   17  N5  UNL     1      -4.153   0.934  -0.670  1.00  0.00           N  
HETATM   18  C11 UNL     1      -5.624   0.839  -0.715  1.00  0.00           C  
HETATM   19  C12 UNL     1      -5.920  -0.549  -1.139  1.00  0.00           C  
HETATM   20  C13 UNL     1      -7.318  -1.007  -1.231  1.00  0.00           C  
HETATM   21  C14 UNL     1      -8.000  -1.122   0.052  1.00  0.00           C  
HETATM   22  O3  UNL     1      -7.398  -1.002   1.136  1.00  0.00           O  
HETATM   23  O4  UNL     1      -9.378  -1.376   0.052  1.00  0.00           O  
HETATM   24  C15 UNL     1      -6.194   1.388   0.488  1.00  0.00           C  
HETATM   25  O5  UNL     1      -5.564   1.544   1.545  1.00  0.00           O  
HETATM   26  O6  UNL     1      -7.548   1.790   0.487  1.00  0.00           O  
HETATM   27  C16 UNL     1      -1.201   0.716  -0.662  1.00  0.00           C  
HETATM   28  C17 UNL     1       0.187   0.758  -0.559  1.00  0.00           C  
HETATM   29  C18 UNL     1       5.336   1.659  -0.066  1.00  0.00           C  
HETATM   30  N6  UNL     1       6.653   1.471   0.104  1.00  0.00           N  
HETATM   31  C19 UNL     1       7.138   0.205   0.090  1.00  0.00           C  
HETATM   32  N7  UNL     1       8.454  -0.037   0.253  1.00  0.00           N  
HETATM   33  H1  UNL     1      10.782  -1.683   1.357  1.00  0.00           H  
HETATM   34  H2  UNL     1      11.046  -1.374  -0.382  1.00  0.00           H  
HETATM   35  H3  UNL     1       2.783   0.139  -1.363  1.00  0.00           H  
HETATM   36  H4  UNL     1       2.808   1.833  -0.774  1.00  0.00           H  
HETATM   37  H5  UNL     1       2.724   0.186   1.574  1.00  0.00           H  
HETATM   38  H6  UNL     1       0.542  -0.259   2.580  1.00  0.00           H  
HETATM   39  H7  UNL     1      -1.931  -0.331   2.386  1.00  0.00           H  
HETATM   40  H8  UNL     1      -3.628   1.511  -1.381  1.00  0.00           H  
HETATM   41  H9  UNL     1      -5.877   1.560  -1.599  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.278  -1.261  -0.558  1.00  0.00           H  
HETATM   43  H11 UNL     1      -5.470  -0.637  -2.198  1.00  0.00           H  
HETATM   44  H12 UNL     1      -7.925  -0.319  -1.898  1.00  0.00           H  
HETATM   45  H13 UNL     1      -7.336  -1.999  -1.776  1.00  0.00           H  
HETATM   46  H14 UNL     1      -9.718  -2.335  -0.070  1.00  0.00           H  
HETATM   47  H15 UNL     1      -7.764   2.767   0.588  1.00  0.00           H  
HETATM   48  H16 UNL     1      -1.680   0.996  -1.583  1.00  0.00           H  
HETATM   49  H17 UNL     1       0.779   1.074  -1.410  1.00  0.00           H  
HETATM   50  H18 UNL     1       4.893   2.657  -0.063  1.00  0.00           H  
HETATM   51  H19 UNL     1       9.075   0.797   0.392  1.00  0.00           H  
CONECT    1    2   33   34
CONECT    2    3    3   32
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   31
CONECT    7    8
CONECT    8    9   29   29
CONECT    9   10   35   36
CONECT   10   11   37
CONECT   11   12   12   28
CONECT   12   13   38
CONECT   13   14   14   39
CONECT   14   15   27
CONECT   15   16   16   17
CONECT   17   18   40
CONECT   18   19   24   41
CONECT   19   20   42   43
CONECT   20   21   44   45
CONECT   21   22   22   23
CONECT   23   46
CONECT   24   25   25   26
CONECT   26   47
CONECT   27   28   28   48
CONECT   28   49
CONECT   29   30   50
CONECT   30   31   31
CONECT   31   32
CONECT   32   51
END

HMDB0000121
     RDKit          3D
Folic acid
 51 53  0  0  0  0  0  0  0  0999 V2000
   10.4116   -1.4536    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -1.2491    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885   -2.3168    0.0716 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8709   -2.1420   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -3.1171   -0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -0.8781   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925   -0.6790   -0.2606 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.5884   -0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.7870   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.4249    0.6919 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4016    0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0418    0.0095    1.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.0293    1.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    0.3242    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.2448    0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451   -0.4496    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.9342   -0.6703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6241    0.8388   -0.7155 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9198   -0.5491   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177   -1.0072   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9998   -1.1219    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984   -1.0017    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3779   -1.3757    0.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1937    1.3884    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5640    1.5441    1.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5482    1.7902    0.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2012    0.7160   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.7578   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3357    1.6593   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    1.4714    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.2051    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   -0.0373    0.2530 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7824   -1.6825    1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0461   -1.3738   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    0.1388   -1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8327   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1859    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5424   -0.2588    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.3311    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    1.5107   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8771    1.5599   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2775   -1.2611   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -0.6372   -2.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9247   -0.3188   -1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3356   -1.9989   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7184   -2.3352   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7636    2.7675    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    0.9959   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.0742   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    2.6567   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    0.7969    0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  2  1  0
 31  6  1  0
 28 11  1  0
  1 33  1  0
  1 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 19 43  1  0
 20 44  1  0
 20 45  1  0
 23 46  1  0
 26 47  1  0
 27 48  1  0
 28 49  1  0
 29 50  1  0
 32 51  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Folate	ChEBI
Folsaeure	ChEBI
N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid	ChEBI
N-Pteroyl-L-glutamic acid	ChEBI
PGA	ChEBI
PteGlu	ChEBI
Pteroyl-L-glutamic acid	ChEBI
Pteroyl-L-monoglutamic acid	ChEBI
Pteroylglutamic acid	ChEBI
Vitamin BC	ChEBI
Vitamin m	ChEBI
Folicet	Kegg
N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamate	Generator
N-Pteroyl-L-glutamate	Generator
Pteroyl-L-glutamate	Generator
Pteroyl-L-monoglutamate	Generator
Pteroylglutamate	Generator
Acifolic	HMDB
Cytofol	HMDB
Dosfolat b activ	HMDB
Folacid	HMDB
Folacin	HMDB
Folbal	HMDB
Folcidin	HMDB
Foldine	HMDB
Folettes	HMDB
Foliamin	HMDB
Folipac	HMDB
Folsan	HMDB
Folsaure	HMDB
Folsav	HMDB
Folvite	HMDB
Incafolic	HMDB
Liver lactobacillus casei factor	HMDB
Millafol	HMDB
N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid	HMDB
N-[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid	HMDB
Pteroylmonoglutamic acid	HMDB
Vitamin be	HMDB
Folic acid, (DL)-isomer	HMDB
Folic acid, sodium salt	HMDB
Folic acid, (D)-isomer	HMDB
Folic acid, monosodium salt	HMDB
Folic acid, potassium salt	HMDB
b9, Vitamin	HMDB
Folic acid, calcium salt (1:1)	HMDB
Folic acid, monopotassium salt	HMDB
Vitamin b9	HMDB

Chemical Formula

C₁₉H₁₉N₇O₆

Average Molecular Weight

441.3975

Monoisotopic Molecular Weight

441.139681375

IUPAC Name

(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

Traditional Name

folate

CAS Registry Number

59-30-3

SMILES

NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1

InChI Identifier

InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

InChI Key

OVBPIULPVIDEAO-LBPRGKRZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Ether
Carboxylic acid
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:545959 )
phenols (CHEBI:545959 )
monomethoxybenzene (CHEBI:545959 )

Ontology

Physiological effect

Adverse health effect

Injury

Rheumatoid arthritis

Cellular substructure

Macromolecular complex

Blood

Extracellular

Ingestion

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	250 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.0016 mg/mL	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	MetCCS_test_neg	189.4	30932474
[M-H]-	Astarita_neg	188.3	30932474
[M+H]+	MetCCS_test_pos	195.465	30932474
[M-H]-	Not Available	189.4	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000073
[M+H]+	Not Available	195.5	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000073

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.076 g/L	ALOGPS
logP	10^(-0.04) g/L	ALOGPS
logP	10^(-0.68) g/L	ChemAxon
logS	10^(-3.8) g/L	ALOGPS
pKa (Strongest Acidic)	3.37	ChemAxon
pKa (Strongest Basic)	2.09	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	208.99 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	111.01 m³·mol⁻¹	ChemAxon
Polarizability	42.06 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	200.655	31661259
DarkChem	[M-H]-	193.614	31661259
AllCCS	[M+H]+	196.63	32859911
AllCCS	[M-H]-	194.752	32859911
DeepCCS	[M+H]+	194.922	30932474
DeepCCS	[M-H]-	192.527	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Folic acid	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1	4916.8	Standard polar	33892256
Folic acid	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1	3415.6	Standard non polar	33892256
Folic acid	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1	5052.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Folic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O	4524.5	Semi standard non polar	33892256
Folic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1	4514.5	Semi standard non polar	33892256
Folic acid,1TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1	4626.5	Semi standard non polar	33892256
Folic acid,1TMS,isomer #4	C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4557.7	Semi standard non polar	33892256
Folic acid,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4467.2	Semi standard non polar	33892256
Folic acid,1TMS,isomer #6	C[Si](C)(C)N1C(N)=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C21	4553.7	Semi standard non polar	33892256
Folic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	4341.2	Semi standard non polar	33892256
Folic acid,2TMS,isomer #10	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1)[Si](C)(C)C	4396.5	Semi standard non polar	33892256
Folic acid,2TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4490.3	Semi standard non polar	33892256
Folic acid,2TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	4405.8	Semi standard non polar	33892256
Folic acid,2TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	4508.4	Semi standard non polar	33892256
Folic acid,2TMS,isomer #14	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4398.9	Semi standard non polar	33892256
Folic acid,2TMS,isomer #15	C[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4273.4	Semi standard non polar	33892256
Folic acid,2TMS,isomer #16	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	4333.0	Semi standard non polar	33892256
Folic acid,2TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2[NH]1	4425.8	Semi standard non polar	33892256
Folic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4260.6	Semi standard non polar	33892256
Folic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	4322.3	Semi standard non polar	33892256
Folic acid,2TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O	4379.1	Semi standard non polar	33892256
Folic acid,2TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	4432.4	Semi standard non polar	33892256
Folic acid,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4306.3	Semi standard non polar	33892256
Folic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	4314.4	Semi standard non polar	33892256
Folic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1	4393.0	Semi standard non polar	33892256
Folic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	4320.0	Semi standard non polar	33892256
Folic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	4120.0	Standard non polar	33892256
Folic acid,3TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2[NH]1	6383.3	Standard polar	33892256
Folic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4181.8	Semi standard non polar	33892256
Folic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	3985.9	Standard non polar	33892256
Folic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	6496.6	Standard polar	33892256
Folic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	4182.7	Semi standard non polar	33892256
Folic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	4031.3	Standard non polar	33892256
Folic acid,3TMS,isomer #11	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	6418.2	Standard polar	33892256
Folic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1	4245.8	Semi standard non polar	33892256
Folic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1	4254.5	Standard non polar	33892256
Folic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1	6252.8	Standard polar	33892256
Folic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4277.8	Semi standard non polar	33892256
Folic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4120.2	Standard non polar	33892256
Folic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	6238.2	Standard polar	33892256
Folic acid,3TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	4275.3	Semi standard non polar	33892256
Folic acid,3TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	4103.8	Standard non polar	33892256
Folic acid,3TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	6361.4	Standard polar	33892256
Folic acid,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4366.3	Semi standard non polar	33892256
Folic acid,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4154.3	Standard non polar	33892256
Folic acid,3TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	6295.9	Standard polar	33892256
Folic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4111.7	Semi standard non polar	33892256
Folic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	3975.8	Standard non polar	33892256
Folic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	6170.6	Standard polar	33892256
Folic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4214.1	Semi standard non polar	33892256
Folic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	3941.7	Standard non polar	33892256
Folic acid,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	6449.3	Standard polar	33892256
Folic acid,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	4182.0	Semi standard non polar	33892256
Folic acid,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	3973.1	Standard non polar	33892256
Folic acid,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	6334.3	Standard polar	33892256
Folic acid,3TMS,isomer #19	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4289.8	Semi standard non polar	33892256
Folic acid,3TMS,isomer #19	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4328.8	Standard non polar	33892256
Folic acid,3TMS,isomer #19	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	6186.2	Standard polar	33892256
Folic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4182.5	Semi standard non polar	33892256
Folic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	3967.5	Standard non polar	33892256
Folic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	6341.9	Standard polar	33892256
Folic acid,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4204.0	Semi standard non polar	33892256
Folic acid,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4276.5	Standard non polar	33892256
Folic acid,3TMS,isomer #20	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	6281.7	Standard polar	33892256
Folic acid,3TMS,isomer #21	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C	4380.1	Semi standard non polar	33892256
Folic acid,3TMS,isomer #21	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C	4357.6	Standard non polar	33892256
Folic acid,3TMS,isomer #21	C[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C)[Si](C)(C)C	6285.5	Standard polar	33892256
Folic acid,3TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4227.3	Semi standard non polar	33892256
Folic acid,3TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4158.6	Standard non polar	33892256
Folic acid,3TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	6249.5	Standard polar	33892256
Folic acid,3TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4338.8	Semi standard non polar	33892256
Folic acid,3TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4232.4	Standard non polar	33892256
Folic acid,3TMS,isomer #23	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	6214.4	Standard polar	33892256
Folic acid,3TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4305.8	Semi standard non polar	33892256
Folic acid,3TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4191.4	Standard non polar	33892256
Folic acid,3TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	6316.3	Standard polar	33892256
Folic acid,3TMS,isomer #25	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4143.8	Semi standard non polar	33892256
Folic acid,3TMS,isomer #25	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4018.2	Standard non polar	33892256
Folic acid,3TMS,isomer #25	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	6330.4	Standard polar	33892256
Folic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4157.2	Semi standard non polar	33892256
Folic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	3979.2	Standard non polar	33892256
Folic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6238.8	Standard polar	33892256
Folic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4247.3	Semi standard non polar	33892256
Folic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	3959.7	Standard non polar	33892256
Folic acid,3TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6505.9	Standard polar	33892256
Folic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	4253.1	Semi standard non polar	33892256
Folic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	4328.6	Standard non polar	33892256
Folic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	6337.9	Standard polar	33892256
Folic acid,3TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4271.4	Semi standard non polar	33892256
Folic acid,3TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4181.6	Standard non polar	33892256
Folic acid,3TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2[NH]1	6319.6	Standard polar	33892256
Folic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	4252.9	Semi standard non polar	33892256
Folic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	4147.9	Standard non polar	33892256
Folic acid,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2[NH]1	6409.6	Standard polar	33892256
Folic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	4353.6	Semi standard non polar	33892256
Folic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	4221.3	Standard non polar	33892256
Folic acid,3TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C	6376.8	Standard polar	33892256
Folic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4086.6	Semi standard non polar	33892256
Folic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4024.4	Standard non polar	33892256
Folic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	6216.7	Standard polar	33892256
Folic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	4213.3	Semi standard non polar	33892256
Folic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	4124.3	Standard non polar	33892256
Folic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C	5841.5	Standard polar	33892256
Folic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O	4270.5	Semi standard non polar	33892256
Folic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O	4231.0	Standard non polar	33892256
Folic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O	5857.7	Standard polar	33892256
Folic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4100.9	Semi standard non polar	33892256
Folic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4005.3	Standard non polar	33892256
Folic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	5859.2	Standard polar	33892256
Folic acid,4TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4190.7	Semi standard non polar	33892256
Folic acid,4TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4043.5	Standard non polar	33892256
Folic acid,4TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	5821.3	Standard polar	33892256
Folic acid,4TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4189.2	Semi standard non polar	33892256
Folic acid,4TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4054.0	Standard non polar	33892256
Folic acid,4TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	5919.5	Standard polar	33892256
Folic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	4011.2	Semi standard non polar	33892256
Folic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	3879.2	Standard non polar	33892256
Folic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	6033.8	Standard polar	33892256
Folic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4139.9	Semi standard non polar	33892256
Folic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4147.9	Standard non polar	33892256
Folic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	5831.1	Standard polar	33892256
Folic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	4143.0	Semi standard non polar	33892256
Folic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	4142.0	Standard non polar	33892256
Folic acid,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1	5713.8	Standard polar	33892256
Folic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1	4264.5	Semi standard non polar	33892256
Folic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1	4182.7	Standard non polar	33892256
Folic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1	5792.7	Standard polar	33892256
Folic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4117.7	Semi standard non polar	33892256
Folic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	3977.4	Standard non polar	33892256
Folic acid,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	5823.4	Standard polar	33892256
Folic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4197.1	Semi standard non polar	33892256
Folic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4005.7	Standard non polar	33892256
Folic acid,4TMS,isomer #19	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	5760.7	Standard polar	33892256
Folic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4185.2	Semi standard non polar	33892256
Folic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	3949.2	Standard non polar	33892256
Folic acid,4TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	5841.1	Standard polar	33892256
Folic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4203.9	Semi standard non polar	33892256
Folic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4023.0	Standard non polar	33892256
Folic acid,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	5885.6	Standard polar	33892256
Folic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	4033.3	Semi standard non polar	33892256
Folic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	3855.1	Standard non polar	33892256
Folic acid,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	5996.8	Standard polar	33892256
Folic acid,4TMS,isomer #22	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4251.4	Semi standard non polar	33892256
Folic acid,4TMS,isomer #22	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4250.9	Standard non polar	33892256
Folic acid,4TMS,isomer #22	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5708.9	Standard polar	33892256
Folic acid,4TMS,isomer #23	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4118.6	Semi standard non polar	33892256
Folic acid,4TMS,isomer #23	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4195.9	Standard non polar	33892256
Folic acid,4TMS,isomer #23	C[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	5727.8	Standard polar	33892256
Folic acid,4TMS,isomer #24	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	4196.5	Semi standard non polar	33892256
Folic acid,4TMS,isomer #24	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	4229.0	Standard non polar	33892256
Folic acid,4TMS,isomer #24	C[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	5814.8	Standard polar	33892256
Folic acid,4TMS,isomer #25	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4126.9	Semi standard non polar	33892256
Folic acid,4TMS,isomer #25	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4061.4	Standard non polar	33892256
Folic acid,4TMS,isomer #25	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	5770.0	Standard polar	33892256
Folic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	4193.2	Semi standard non polar	33892256
Folic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	3978.8	Standard non polar	33892256
Folic acid,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2[NH]1	5943.1	Standard polar	33892256
Folic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4263.4	Semi standard non polar	33892256
Folic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4005.8	Standard non polar	33892256
Folic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	5890.1	Standard polar	33892256
Folic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4040.7	Semi standard non polar	33892256
Folic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	3855.4	Standard non polar	33892256
Folic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	5894.6	Standard polar	33892256
Folic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4127.5	Semi standard non polar	33892256
Folic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	3825.1	Standard non polar	33892256
Folic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	6165.9	Standard polar	33892256
Folic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4087.1	Semi standard non polar	33892256
Folic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	3826.6	Standard non polar	33892256
Folic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	6058.6	Standard polar	33892256
Folic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4125.7	Semi standard non polar	33892256
Folic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4176.1	Standard non polar	33892256
Folic acid,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	5868.5	Standard polar	33892256
Folic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	4146.7	Semi standard non polar	33892256
Folic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	4184.5	Standard non polar	33892256
Folic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O	5778.4	Standard polar	33892256
Folic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4119.1	Semi standard non polar	33892256
Folic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	4039.5	Standard non polar	33892256
Folic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C	5456.0	Standard polar	33892256
Folic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	4160.4	Semi standard non polar	33892256
Folic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	4094.2	Standard non polar	33892256
Folic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O	5348.6	Standard polar	33892256
Folic acid,5TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4065.5	Semi standard non polar	33892256
Folic acid,5TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	3937.0	Standard non polar	33892256
Folic acid,5TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	5423.9	Standard polar	33892256
Folic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4060.3	Semi standard non polar	33892256
Folic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4042.7	Standard non polar	33892256
Folic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	5348.7	Standard polar	33892256
Folic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4145.1	Semi standard non polar	33892256
Folic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4096.3	Standard non polar	33892256
Folic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	5428.7	Standard polar	33892256
Folic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	4145.3	Semi standard non polar	33892256
Folic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	4071.7	Standard non polar	33892256
Folic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1	5301.5	Standard polar	33892256
Folic acid,5TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4077.0	Semi standard non polar	33892256
Folic acid,5TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	3920.9	Standard non polar	33892256
Folic acid,5TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	5394.1	Standard polar	33892256
Folic acid,5TMS,isomer #16	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4115.9	Semi standard non polar	33892256
Folic acid,5TMS,isomer #16	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	4136.0	Standard non polar	33892256
Folic acid,5TMS,isomer #16	C[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)C=C1	5334.0	Standard polar	33892256
Folic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4123.1	Semi standard non polar	33892256
Folic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	3997.2	Standard non polar	33892256
Folic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	5343.6	Standard polar	33892256
Folic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4217.0	Semi standard non polar	33892256
Folic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4065.6	Standard non polar	33892256
Folic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	5413.9	Standard polar	33892256
Folic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	4080.3	Semi standard non polar	33892256
Folic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	3861.3	Standard non polar	33892256
Folic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2[NH]1	5442.1	Standard polar	33892256
Folic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4126.5	Semi standard non polar	33892256
Folic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	3870.7	Standard non polar	33892256
Folic acid,5TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	5384.7	Standard polar	33892256
Folic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	4161.3	Semi standard non polar	33892256
Folic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	3915.0	Standard non polar	33892256
Folic acid,5TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C	5507.3	Standard polar	33892256
Folic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	3993.7	Semi standard non polar	33892256
Folic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	3748.0	Standard non polar	33892256
Folic acid,5TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	5763.2	Standard polar	33892256
Folic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4044.0	Semi standard non polar	33892256
Folic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4061.4	Standard non polar	33892256
Folic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	5378.5	Standard polar	33892256
Folic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4143.4	Semi standard non polar	33892256
Folic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4121.5	Standard non polar	33892256
Folic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	5457.6	Standard polar	33892256
Folic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	4050.3	Semi standard non polar	33892256
Folic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	3925.7	Standard non polar	33892256
Folic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C)C=C1)[Si](C)(C)C	5012.4	Standard polar	33892256
Folic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4140.3	Semi standard non polar	33892256
Folic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	4002.5	Standard non polar	33892256
Folic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)C=C1)[Si](C)(C)C	5100.4	Standard polar	33892256
Folic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4137.7	Semi standard non polar	33892256
Folic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	3950.3	Standard non polar	33892256
Folic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4967.5	Standard polar	33892256
Folic acid,6TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	4068.4	Semi standard non polar	33892256
Folic acid,6TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	3830.4	Standard non polar	33892256
Folic acid,6TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C=C3)[Si](C)(C)C)=CN=C2N1[Si](C)(C)C	5060.9	Standard polar	33892256
Folic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	4074.9	Semi standard non polar	33892256
Folic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	4019.4	Standard non polar	33892256
Folic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	5009.7	Standard polar	33892256
Folic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	4084.7	Semi standard non polar	33892256
Folic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	4009.6	Standard non polar	33892256
Folic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N3[Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C	4988.9	Standard polar	33892256
Folic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O	4790.1	Semi standard non polar	33892256
Folic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1	4772.5	Semi standard non polar	33892256
Folic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1	4810.2	Semi standard non polar	33892256
Folic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4771.7	Semi standard non polar	33892256
Folic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4695.1	Semi standard non polar	33892256
Folic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C(N)=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C21	4705.7	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4811.5	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2[NH]1)[Si](C)(C)C(C)(C)C	4811.9	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4848.8	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4763.6	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4862.2	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4792.1	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4715.3	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	4738.4	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2[NH]1	4824.8	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4740.1	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4801.8	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4777.3	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4813.0	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4747.9	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1	4775.5	Semi standard non polar	33892256
Folic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1	4768.4	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4860.7	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4598.0	Standard non polar	33892256
Folic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	6148.7	Standard polar	33892256
Folic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4795.0	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4421.5	Standard non polar	33892256
Folic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6253.1	Standard polar	33892256
Folic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4818.8	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4446.3	Standard non polar	33892256
Folic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	6185.1	Standard polar	33892256
Folic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1	4823.8	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1	4721.9	Standard non polar	33892256
Folic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1	6021.8	Standard polar	33892256
Folic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4796.1	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4550.4	Standard non polar	33892256
Folic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	6054.3	Standard polar	33892256
Folic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4772.2	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4561.7	Standard non polar	33892256
Folic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	6141.3	Standard polar	33892256
Folic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4875.5	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4640.0	Standard non polar	33892256
Folic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	6038.7	Standard polar	33892256
Folic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4713.8	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4376.1	Standard non polar	33892256
Folic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6056.2	Standard polar	33892256
Folic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4797.1	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4395.7	Standard non polar	33892256
Folic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6232.1	Standard polar	33892256
Folic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4792.2	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4405.2	Standard non polar	33892256
Folic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	6137.7	Standard polar	33892256
Folic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4869.0	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4717.4	Standard non polar	33892256
Folic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5951.8	Standard polar	33892256
Folic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4777.2	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4410.6	Standard non polar	33892256
Folic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	6185.0	Standard polar	33892256
Folic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4775.2	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	4711.6	Standard non polar	33892256
Folic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[C@@H](CCC(=O)O)C(=O)O	6021.9	Standard polar	33892256
Folic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4949.1	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4796.8	Standard non polar	33892256
Folic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5984.1	Standard polar	33892256
Folic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4756.2	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4559.4	Standard non polar	33892256
Folic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	6052.4	Standard polar	33892256
Folic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4895.9	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4638.8	Standard non polar	33892256
Folic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	5967.5	Standard polar	33892256
Folic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4838.7	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4636.3	Standard non polar	33892256
Folic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	6044.2	Standard polar	33892256
Folic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4757.1	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4415.8	Standard non polar	33892256
Folic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	6129.9	Standard polar	33892256
Folic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4778.6	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4404.6	Standard non polar	33892256
Folic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6098.6	Standard polar	33892256
Folic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4816.2	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4442.1	Standard non polar	33892256
Folic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	6267.0	Standard polar	33892256
Folic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	4860.7	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	4769.6	Standard non polar	33892256
Folic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O	6063.6	Standard polar	33892256
Folic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4824.2	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4586.9	Standard non polar	33892256
Folic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	6095.0	Standard polar	33892256
Folic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4775.9	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4586.1	Standard non polar	33892256
Folic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	6157.3	Standard polar	33892256
Folic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4899.0	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4688.1	Standard non polar	33892256
Folic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	6077.8	Standard polar	33892256
Folic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4715.1	Semi standard non polar	33892256
Folic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4401.4	Standard non polar	33892256
Folic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6078.7	Standard polar	33892256
Folic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4941.8	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4730.8	Standard non polar	33892256
Folic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5687.7	Standard polar	33892256
Folic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5029.9	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4802.3	Standard non polar	33892256
Folic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5663.6	Standard polar	33892256
Folic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4811.0	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4553.9	Standard non polar	33892256
Folic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	5729.6	Standard polar	33892256
Folic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4955.8	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4605.0	Standard non polar	33892256
Folic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	5650.4	Standard polar	33892256
Folic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4908.8	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4652.4	Standard non polar	33892256
Folic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	5732.1	Standard polar	33892256
Folic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4832.2	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4415.1	Standard non polar	33892256
Folic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5905.6	Standard polar	33892256
Folic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4854.5	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4719.0	Standard non polar	33892256
Folic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	5687.7	Standard polar	33892256
Folic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1	4903.6	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1	4670.8	Standard non polar	33892256
Folic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1	5600.0	Standard polar	33892256
Folic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1	4999.5	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1	4764.4	Standard non polar	33892256
Folic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1	5635.1	Standard polar	33892256
Folic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4801.3	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4544.5	Standard non polar	33892256
Folic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	5716.9	Standard polar	33892256
Folic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4925.5	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4577.1	Standard non polar	33892256
Folic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	5623.3	Standard polar	33892256
Folic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4896.6	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	4527.7	Standard non polar	33892256
Folic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2[NH]1	5713.5	Standard polar	33892256
Folic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4908.5	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4637.7	Standard non polar	33892256
Folic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	5720.1	Standard polar	33892256
Folic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4819.5	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4406.5	Standard non polar	33892256
Folic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5888.2	Standard polar	33892256
Folic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5033.7	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	4745.1	Standard non polar	33892256
Folic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(CC1=CN=C2C(=N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1	5568.0	Standard polar	33892256
Folic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4871.9	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4700.3	Standard non polar	33892256
Folic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(CC1=CN=C2[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	5608.8	Standard polar	33892256
Folic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	4963.0	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	4773.9	Standard non polar	33892256
Folic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N3[Si](C)(C)C(C)(C)C)C=C1)[C@@H](CCC(=O)O)C(=O)O	5648.6	Standard polar	33892256
Folic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4883.3	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	4606.5	Standard non polar	33892256
Folic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C=C3)[Si](C)(C)C(C)(C)C)=CN=C2N1[Si](C)(C)C(C)(C)C	5639.6	Standard polar	33892256
Folic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4878.8	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	4594.8	Standard non polar	33892256
Folic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=CN=C2[NH]1	5799.3	Standard polar	33892256
Folic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4978.2	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	4644.6	Standard non polar	33892256
Folic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=CN=C2N1[Si](C)(C)C(C)(C)C	5710.9	Standard polar	33892256
Folic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4772.8	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4380.0	Standard non polar	33892256
Folic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5809.6	Standard polar	33892256
Folic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4873.3	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4430.4	Standard non polar	33892256
Folic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6001.2	Standard polar	33892256
Folic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4871.7	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	4391.0	Standard non polar	33892256
Folic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)N=C(N)N3[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5911.3	Standard polar	33892256
Folic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4864.5	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	4739.6	Standard non polar	33892256
Folic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)C1=CC=C(NCC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)C=C1)[Si](C)(C)C(C)(C)C	5700.8	Standard polar	33892256
Folic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4940.7	Semi standard non polar	33892256
Folic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	4701.3	Standard non polar	33892256
Folic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N(CC2=CN=C3[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5627.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-2249100000-5ad16461f6638538ea08	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (2 TMS) - 70eV, Positive	splash10-00xr-4205390000-4152e24c68306bfe6554	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Folic acid GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0006-9410000000-7cba521e870757539424	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0006-0000900000-4208ea3c2f5d9026c19f	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-0006-0050900000-2c8ad037dc3b270765c4	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-0007-0090300000-ebdec84cbb7fe5afbc0b	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOF	splash10-0007-0903600000-e5d91e4f2ab79d130b76	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid LC-ESI-qTof , Positive-QTOF	splash10-002b-0960000000-108d96993dc78f1e4b61	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid LC-ESI-QTOF , negative-QTOF	splash10-0007-0903600000-e5d91e4f2ab79d130b76	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid , positive-QTOF	splash10-002b-0960000000-108d96993dc78f1e4b61	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 10V, Positive-QTOF	splash10-0002-0090000000-9e9a33bc590d0f801929	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 30V, Positive-QTOF	splash10-0aba-6940000000-f0b6076af9cb59413656	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 0V, Positive-QTOF	splash10-0005-0090600010-5ef6e95b870cc0ebfeb8	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 20V, Positive-QTOF	splash10-0002-0190000000-2d1f624dc1d2d929527f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 90V, Negative-QTOF	splash10-015c-9700000000-5a0aeec6b1c2bfddfdf1	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 10V, Positive-QTOF	splash10-0002-0090000000-b750c262ac740994e33a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 0V, Positive-QTOF	splash10-0005-0090600000-c0e3753ba3591c41d1db	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 75V, Negative-QTOF	splash10-001i-3900000000-4d5187e4336ce6be5eb7	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 40V, Positive-QTOF	splash10-00b9-0910000000-b3bc3e8ccbba45c85e78	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 10V, Positive-QTOF	splash10-0002-0090000010-2c53d9aa251e75638183	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 10V, Negative-QTOF	splash10-0006-0000900000-7370828adb963cbb9246	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Folic acid 20V, Negative-QTOF	splash10-0006-0000900000-3b979cd5ecd30ae0d2bf	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folic acid 10V, Positive-QTOF	splash10-00bd-0544900000-aa9a130e2cf3dacfb954	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folic acid 20V, Positive-QTOF	splash10-004j-0954100000-7be7eac442233b5d3bcf	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folic acid 40V, Positive-QTOF	splash10-004i-1960000000-1950169762886f41b6ec	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folic acid 10V, Negative-QTOF	splash10-0006-0114900000-bff7f5f3d20dcd6a4494	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folic acid 20V, Negative-QTOF	splash10-00r7-1249300000-e322ba8675bb922877a9	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Folic acid 40V, Negative-QTOF	splash10-0006-9652000000-8c87fa7172ed19a7eb27	2016-09-14	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Blood
Cellular Cytoplasm
Cerebrospinal Fluid (CSF)
Feces
Urine

Tissue Locations

Brain
Erythrocyte
Kidney
Liver

Pathways

Name	SMPDB/PathBank	KEGG
Pterine Biosynthesis
One carbon pool by folate	Not Available
Methylenetetrahydrofolate Reductase Deficiency (MTHFRD)		Not Available
Methotrexate Action Pathway		Not Available
Folate malabsorption, hereditary		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.021 (0.017-0.025) uM	Adult (>18 years old)	Both	Normal	16277678	details
Blood	Detected and Quantified	0.0295-0.0340 uM	Infant (0-1 year old)	Not Specified	Normal	3987728	details
Blood	Detected and Quantified	0.00544-0.0272 uM	Infant (0-1 year old)	Not Specified	Normal	20005757	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	0.039 (0.01 - 0.14) uM	Newborn (0-30 days old)	Not Specified	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	0.011 (0.004 - 0.028) uM	Children (1-13 years old)	Not Specified	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	0.009 (0.0024 - 0.024) uM	Adult (>18 years old)	Not Specified	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	0.024 uM	Infant (5 days - <1 year old)	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	0.0088 uM	Children (1 - <3 years old)	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	0.027 uM	Children (3 - <6 years old)	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	0.0297 uM	Children (6 - <8 years old)	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	0.0258 uM	Children (8 - <12 years old)	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	0.027 uM	Adolescent (12 - <14 years old)	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	0.0179 uM	Adolescent (14 - <19 years old	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	0.00400-0.0150 uM	Adult (>18 years old)	Not Specified	Normal	10102904	details
Blood	Detected and Quantified	0.016 +/- 0.0049 uM	Adult (>18 years old)	Both	Normal	16871332	details
Blood	Detected and Quantified	0.02 (0.011- 0.036) uM	Adult (>18 years old)	Both	Normal	Wu AHB. Tietz cli...	details
Blood	Detected and Quantified	0.009 (0.0026-0.026) uM	Adult (>18 years old)	Female	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	0.023 (0.002-0.045) uM	Children (1-13 years old)	Both	Normal	16690175	details
Cellular Cytoplasm	Detected and Quantified	0.735 +/- 0.202 uM	Newborn (0-30 days old)	Not Specified	Normal	Geigy Scientific ...	details
Cellular Cytoplasm	Detected and Quantified	0.453 +/- 0.131 uM	Adult (>18 years old)	Not Specified	Normal	Geigy Scientific ...	details
Cellular Cytoplasm	Detected and Quantified	> 0.35 uM	Adult (>18 years old)	Both	Normal	978-0-911910-19-3	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.0544 uM	Children (1-13 years old)	Not Specified	Normal	20005757	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.0078 +/- 0.0011 uM	Adult (>18 years old)	Not Specified	Normal	11959400	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.053 +/- 0.024 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.006 +/- 0.0005 uM	Elderly (>65 years old)	Both	Normal	11959400	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.0202 +/- 0.00567 uM	Adult (>18 years old)	Female	Normal	20087382	details
Urine	Detected and Quantified	0.00065 (0.000092-0.0013) umol/mmol creatinine	Adult (>18 years old)	Female	Normal	Geigy Scientific ...	details
Urine	Detected and Quantified	0.0014 (0.000013-0.0026) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Urine	Detected and Quantified	< 0.01 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	15321809	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.023 (0.019-0.028) uM	Adult (>18 years old)	Both	Rheumatoid arthritis	16277678	details
Blood	Detected and Quantified	0.00204 uM	Infant (0-1 year old)	Female	Hereditary folate malabsorption	3987728	details
Blood	Detected and Quantified	0.00131 uM	Infant (0-1 year old)	Male	Hereditary folate malabsorption	20005757	details
Blood	Detected and Quantified	0.0097 uM	Adult (>18 years old)	Male	Dimethylglycinuria	10102904	details
Blood	Detected and Quantified	0.023 (0.020-0.026) uM	Adult (>18 years old)	Both	Rheumatoid arthritis	16277678	details
Blood	Detected and Quantified	0.003 (0.0 - 0.007) uM	Adult (>18 years old)	Both	Folate deficiency	Wu AHB. Tietz cli...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.0203 +/- 0.0017 uM	Adult (>18 years old)	Not Specified	Alzheimer's disease	21474939	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.0209 +/- 0.00703 uM	Adult (>18 years old)	Not Specified	fibromyalgia	20087382	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.00612 uM	Children (1-13 years old)	Male	Hereditary folate malabsorption	20005757	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.008 +/- 0.0011 uM	Elderly (>65 years old)	Both	Alzheimer's disease	11959400	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.0056 +/- 0.005 uM	Adult (>18 years old)	Both	Alzheimer's disease	11959400	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Female	Interstitial cystitis	27188581	details

Associated Disorders and Diseases

Disease References

Folate deficiency
(). Wu AHB. Tietz clinical guide to laboratory tests. 4th ed. St. Louis: Saunders/Elsevier. 2006.. .
Rheumatoid arthritis
Chiang EP, Smith DE, Selhub J, Dallal G, Wang YC, Roubenoff R: Inflammation causes tissue-specific depletion of vitamin B6. Arthritis Res Ther. 2005;7(6):R1254-62. Epub 2005 Sep 13. [PubMed:16277678 ]
Hereditary folate malabsorption
Corbeel L, Van den Berghe G, Jaeken J, Van Tornout J, Eeckels R: Congenital folate malabsorption. Eur J Pediatr. 1985 Mar;143(4):284-90. [PubMed:3987728 ] Meyer E, Kurian MA, Pasha S, Trembath RC, Cole T, Maher ER: A novel PCFT gene mutation (p.Cys66LeufsX99) causing hereditary folate malabsorption. Mol Genet Metab. 2010 Mar;99(3):325-8. doi: 10.1016/j.ymgme.2009.11.004. Epub 2009 Nov 16. [PubMed:20005757 ]
Dimethylglycine Dehydrogenase Deficiency
Moolenaar SH, Poggi-Bach J, Engelke UF, Corstiaensen JM, Heerschap A, de Jong JG, Binzak BA, Vockley J, Wevers RA: Defect in dimethylglycine dehydrogenase, a new inborn error of metabolism: NMR spectroscopy study. Clin Chem. 1999 Apr;45(4):459-64. [PubMed:10102904 ]
Alzheimer's disease
Selley ML, Close DR, Stern SE: The effect of increased concentrations of homocysteine on the concentration of (E)-4-hydroxy-2-nonenal in the plasma and cerebrospinal fluid of patients with Alzheimer's disease. Neurobiol Aging. 2002 May-Jun;23(3):383-8. [PubMed:11959400 ] Smach MA, Jacob N, Golmard JL, Charfeddine B, Lammouchi T, Ben Othman L, Dridi H, Bennamou S, Limem K: Folate and homocysteine in the cerebrospinal fluid of patients with Alzheimer's disease or dementia: a case control study. Eur Neurol. 2011;65(5):270-8. doi: 10.1159/000326301. Epub 2011 Apr 8. [PubMed:21474939 ]
Fibromyalgia
Ortancil O, Sanli A, Eryuksel R, Basaran A, Ankarali H: Association between serum ferritin level and fibromyalgia syndrome. Eur J Clin Nutr. 2010 Mar;64(3):308-12. doi: 10.1038/ejcn.2009.149. Epub 2010 Jan 20. [PubMed:20087382 ]
Bladder infections
Braundmeier-Fleming A, Russell NT, Yang W, Nas MY, Yaggie RE, Berry M, Bachrach L, Flury SC, Marko DS, Bushell CB, Welge ME, White BA, Schaeffer AJ, Klumpp DJ: Stool-based biomarkers of interstitial cystitis/bladder pain syndrome. Sci Rep. 2016 May 18;6:26083. doi: 10.1038/srep26083. [PubMed:27188581 ]

Associated OMIM IDs

180300 (Rheumatoid arthritis)
229050 (Hereditary folate malabsorption)
605850 (Dimethylglycine Dehydrogenase Deficiency)
104300 (Alzheimer's disease)

External Links

DrugBank ID

DB00158

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

27470

Food Biomarker Ontology

Not Available

VMH ID

FOL

MarkerDB ID

MDB00000056

Good Scents ID

Not Available

References

Synthesis Reference

Piper, James R.; McCaleb, George S.; Montgomery, John A. Synthesis of 10-propargylfolic acid from 2-amino-6-(bromomethyl)-4(1H)-pteridinone. Journal of Heterocyclic Chemistry (1987), 24(1), 279-82.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Kopczynska E, Ziolkowski M, Jendryczka-Mackiewicz E, Odrowaz-Sypniewska G, Opozda K, Tyrakowski T: [The concentrations of homocysteine, folic acid and vitamin B12 in alcohol dependent male patients]. Psychiatr Pol. 2004 Sep-Oct;38(5):947-56. [PubMed:15523939 ]
Gregory JF 3rd, Williamson J, Liao JF, Bailey LB, Toth JP: Kinetic model of folate metabolism in nonpregnant women consuming [2H2]folic acid: isotopic labeling of urinary folate and the catabolite para-acetamidobenzoylglutamate indicates slow, intake-dependent, turnover of folate pools. J Nutr. 1998 Nov;128(11):1896-906. [PubMed:9808640 ]
Lin Y, Dueker SR, Follett JR, Fadel JG, Arjomand A, Schneider PD, Miller JW, Green R, Buchholz BA, Vogel JS, Phair RD, Clifford AJ: Quantitation of in vivo human folate metabolism. Am J Clin Nutr. 2004 Sep;80(3):680-91. [PubMed:15321809 ]
Rodriguez Flores J, Penalvo GC, Mansilla AE, Gomez MJ: Capillary electrophoretic determination of methotrexate, leucovorin and folic acid in human urine. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 May 5;819(1):141-7. [PubMed:15797531 ]
Selley ML, Close DR, Stern SE: The effect of increased concentrations of homocysteine on the concentration of (E)-4-hydroxy-2-nonenal in the plasma and cerebrospinal fluid of patients with Alzheimer's disease. Neurobiol Aging. 2002 May-Jun;23(3):383-8. [PubMed:11959400 ]
Litwin M, Abuauba M, Wawer ZT, Grenda R, Kuryl T, Pietraszek E: [Sulphur amino acids, vitamin B12 and folic acid in children with chronic renal failure]. Pol Merkur Lekarski. 2000 Apr;8(46):268-9. [PubMed:10897644 ]
Gregory JF 3rd, Williamson J, Bailey LB, Toth JP: Urinary excretion of [2H4]folate by nonpregnant women following a single oral dose of [2H4]folic acid is a functional index of folate nutritional status. J Nutr. 1998 Nov;128(11):1907-12. [PubMed:9808641 ]
Dietrich M, Brown CJ, Block G: The effect of folate fortification of cereal-grain products on blood folate status, dietary folate intake, and dietary folate sources among adult non-supplement users in the United States. J Am Coll Nutr. 2005 Aug;24(4):266-74. [PubMed:16093404 ]
Pufulete M, Al-Ghnaniem R, Khushal A, Appleby P, Harris N, Gout S, Emery PW, Sanders TA: Effect of folic acid supplementation on genomic DNA methylation in patients with colorectal adenoma. Gut. 2005 May;54(5):648-53. [PubMed:15831910 ]
Clifford AJ, Arjomand A, Dueker SR, Schneider PD, Buchholz BA, Vogel JS: The dynamics of folic acid metabolism in an adult given a small tracer dose of 14C-folic acid. Adv Exp Med Biol. 1998;445:239-51. [PubMed:9781393 ]
Olthof MR, Bots ML, Katan MB, Verhoef P: Effect of folic acid and betaine supplementation on flow-mediated dilation: a randomized, controlled study in healthy volunteers. PLoS Clin Trials. 2006 Jun;1(2):e10. Epub 2006 Jun 9. [PubMed:16871332 ]
Stern LL, Bagley PJ, Rosenberg IH, Selhub J: Conversion of 5-formyltetrahydrofolic acid to 5-methyltetrahydrofolic acid is unimpaired in folate-adequate persons homozygous for the C677T mutation in the methylenetetrahydrofolate reductase gene. J Nutr. 2000 Sep;130(9):2238-42. [PubMed:10958818 ]
Stuerenburg HJ, Ganzer S, Arlt S, Muller-Thomsen T: The influence of smoking on plasma folate and lipoproteins in Alzheimer disease, mild cognitive impairment and depression. Neuro Endocrinol Lett. 2005 Jun;26(3):261-3. [PubMed:15990733 ]
Cahill E, McPartlin J, Gibney MJ: The effects of fasting and refeeding healthy volunteers on serum folate levels. Int J Vitam Nutr Res. 1998;68(2):142-5. [PubMed:9565830 ]
Raiten DJ, Fisher KD: Assessment of folate methodology used in the Third National Health and Nutrition Examination Survey (NHANES III, 1988-1994). J Nutr. 1995 May;125(5):1371S-1398S. [PubMed:7738698 ]
Zittoun J: [Anemias due to disorder of folate, vitamin B12 and transcobalamin metabolism]. Rev Prat. 1993 Jun 1;43(11):1358-63. [PubMed:8235383 ]
Kamen B: Folate and antifolate pharmacology. Semin Oncol. 1997 Oct;24(5 Suppl 18):S18-30-S18-39. [PubMed:9420019 ]
Fenech M, Aitken C, Rinaldi J: Folate, vitamin B12, homocysteine status and DNA damage in young Australian adults. Carcinogenesis. 1998 Jul;19(7):1163-71. [PubMed:9683174 ]
Alaimo K, McDowell MA, Briefel RR, Bischof AM, Caughman CR, Loria CM, Johnson CL: Dietary intake of vitamins, minerals, and fiber of persons ages 2 months and over in the United States: Third National Health and Nutrition Examination Survey, Phase 1, 1988-91. Adv Data. 1994 Nov 14;(258):1-28. [PubMed:10138938 ]
Rossi M, Amaretti A, Raimondi S: Folate production by probiotic bacteria. Nutrients. 2011 Jan;3(1):118-34. doi: 10.3390/nu3010118. Epub 2011 Jan 18. [PubMed:22254078 ]
Bibbins-Domingo K, Grossman DC, Curry SJ, Davidson KW, Epling JW Jr, Garcia FA, Kemper AR, Krist AH, Kurth AE, Landefeld CS, Mangione CM, Phillips WR, Phipps MG, Pignone MP, Silverstein M, Tseng CW: Folic Acid Supplementation for the Prevention of Neural Tube Defects: US Preventive Services Task Force Recommendation Statement. JAMA. 2017 Jan 10;317(2):183-189. doi: 10.1001/jama.2016.19438. [PubMed:28097362 ]

Only showing the first 10 proteins. There are 23 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Methylenetetrahydrofolate reductase

General function:: Involved in methylenetetrahydrofolate reductase (NADPH) activity
Specific function:: Catalyzes the conversion of 5,10-methylenetetrahydrofolate to 5-methyltetrahydrofolate, a co-substrate for homocysteine remethylation to methionine.
Gene Name:: MTHFR
Uniprot ID:: P42898
Molecular weight:: 74595.895

References

West AA, Caudill MA: Genetic variation: impact on folate (and choline) bioefficacy. Int J Vitam Nutr Res. 2010 Oct;80(4-5):319-29. doi: 10.1024/0300-9831/a000040. [PubMed:21462116 ]
Kim YI: Role of the MTHFR polymorphisms in cancer risk modification and treatment. Future Oncol. 2009 May;5(4):523-42. doi: 10.2217/fon.09.26. [PubMed:19450180 ]

Enzyme Details

2. Glycine N-methyltransferase

General function:: Involved in folic acid binding
Specific function:: Catalyzes the methylation of glycine by using S-adenosylmethionine (AdoMet) to form N-methylglycine (sarcosine) with the concomitant production of S-adenosylhomocysteine (AdoHcy). Possible crucial role in the regulation of tissue concentration of AdoMet and of metabolism of methionine.
Gene Name:: GNMT
Uniprot ID:: Q14749
Molecular weight:: 32742.0

Enzyme Details

3. Formimidoyltransferase-cyclodeaminase

General function:: Involved in catalytic activity
Specific function:: Folate-dependent enzyme, that displays both transferase and deaminase activity. Serves to channel one-carbon units from formiminoglutamate to the folate pool. Binds and promotes bundling of vimentin filaments originating from the Golgi (By similarity).
Gene Name:: FTCD
Uniprot ID:: O95954
Molecular weight:: 58925.93

Enzyme Details

4. Dihydrofolate reductase

General function:: Involved in dihydrofolate reductase activity
Specific function:: Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.
Gene Name:: DHFR
Uniprot ID:: P00374
Molecular weight:: 21452.61

Reactions

Tetrahydrofolic acid + NAD → Folic acid + NADH + Hydrogen Ion	details
Tetrahydrofolic acid + NADP → Folic acid + NADPH + Hydrogen Ion	details
Dihydrofolic acid + NAD → Folic acid + NADH + Hydrogen Ion	details
Dihydrofolic acid + NADP → Folic acid + NADPH + Hydrogen Ion	details

Enzyme Details

5. 5-formyltetrahydrofolate cyclo-ligase

General function:: Involved in ATP binding
Specific function:: Contributes to tetrahydrofolate metabolism. Helps regulate carbon flow through the folate-dependent one-carbon metabolic network that supplies carbon for the biosynthesis of purines, thymidine and amino acids.
Gene Name:: MTHFS
Uniprot ID:: P49914
Molecular weight:: 16813.995

Enzyme Details

6. Cytochrome P450 2E1

General function:: Involved in monooxygenase activity
Specific function:: Metabolizes several precarcinogens, drugs, and solvents to reactive metabolites. Inactivates a number of drugs and xenobiotics and also bioactivates many xenobiotic substrates to their hepatotoxic or carcinogenic forms.
Gene Name:: CYP2E1
Uniprot ID:: P05181
Molecular weight:: 56848.42

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

7. Folate receptor alpha

General function:: Involved in folic acid binding
Specific function:: Binds to folate and reduced folic acid derivatives and mediates delivery of 5-methyltetrahydrofolate to the interior of cells
Gene Name:: FOLR1
Uniprot ID:: P15328
Molecular weight:: 29818.9

Enzyme Details

8. Folate transporter 1

General function:: Involved in folic acid binding
Specific function:: Transporter for the intake of folate. Uptake of folate in human placental choriocarcinoma cells occurs by a novel mechanism called potocytosis which functionally couples three components, namely the folate receptor, the folate transporter, and a V-type H(+)-pump.
Gene Name:: SLC19A1
Uniprot ID:: P41440
Molecular weight:: 54261.68

Enzyme Details

9. Thiamine transporter 1

General function:: Involved in folic acid binding
Specific function:: High-affinity transporter for the intake of thiamine.
Gene Name:: SLC19A2
Uniprot ID:: O60779
Molecular weight:: 55399.49

Enzyme Details

10. Folate receptor gamma

General function:: Involved in folic acid binding
Specific function:: Binds to folate and reduced folic acid derivatives and mediates delivery of 5-methyltetrahydrofolate to the interior of cells. Isoform Short does not bind folate
Gene Name:: FOLR3
Uniprot ID:: P41439
Molecular weight:: 27638.0

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Shen F, Ross JF, Wang X, Ratnam M: Identification of a novel folate receptor, a truncated receptor, and receptor type beta in hematopoietic cells: cDNA cloning, expression, immunoreactivity, and tissue specificity. Biochemistry. 1994 Feb 8;33(5):1209-15. [PubMed:8110752 ]
Shen F, Wu M, Ross JF, Miller D, Ratnam M: Folate receptor type gamma is primarily a secretory protein due to lack of an efficient signal for glycosylphosphatidylinositol modification: protein characterization and cell type specificity. Biochemistry. 1995 Apr 25;34(16):5660-5. [PubMed:7727426 ]
Prasad PD, Ramamoorthy S, Moe AJ, Smith CH, Leibach FH, Ganapathy V: Selective expression of the high-affinity isoform of the folate receptor (FR-alpha) in the human placental syncytiotrophoblast and choriocarcinoma cells. Biochim Biophys Acta. 1994 Aug 11;1223(1):71-5. [PubMed:8061055 ]
Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]

Transporters

Enzyme Details

1. Canalicular multispecific organic anion transporter 2

General function:: Involved in ATP binding
Specific function:: May act as an inducible transporter in the biliary and intestinal excretion of organic anions. Acts as an alternative route for the export of bile acids and glucuronides from cholestatic hepatocytes
Gene Name:: ABCC3
Uniprot ID:: O15438
Molecular weight:: 169341.1

References

Zeng H, Chen ZS, Belinsky MG, Rea PA, Kruh GD: Transport of methotrexate (MTX) and folates by multidrug resistance protein (MRP) 3 and MRP1: effect of polyglutamylation on MTX transport. Cancer Res. 2001 Oct 1;61(19):7225-32. [PubMed:11585759 ]

Enzyme Details

2. ATP-binding cassette sub-family G member 2

General function:: Involved in ATP binding
Specific function:: Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from the brain. May be involved in brain-to-blood efflux. Appears to play a major role in the multidrug resistance phenotype of several cancer cell lines. When overexpressed, the transfected cells become resistant to mitoxantrone, daunorubicin and doxorubicin, display diminished intracellular accumulation of daunorubicin, and manifest an ATP- dependent increase in the efflux of rhodamine 123
Gene Name:: ABCG2
Uniprot ID:: Q9UNQ0
Molecular weight:: 72313.5

References

Chen ZS, Robey RW, Belinsky MG, Shchaveleva I, Ren XQ, Sugimoto Y, Ross DD, Bates SE, Kruh GD: Transport of methotrexate, methotrexate polyglutamates, and 17beta-estradiol 17-(beta-D-glucuronide) by ABCG2: effects of acquired mutations at R482 on methotrexate transport. Cancer Res. 2003 Jul 15;63(14):4048-54. [PubMed:12874005 ]

Enzyme Details

3. Proton-coupled folate transporter

General function:: Involved in transmembrane transport
Specific function:: Has been shown to act both as an intestinal proton- coupled high-affinity folate transporter and as an intestinal heme transporter which mediates heme uptake from the gut lumen into duodenal epithelial cells. The iron is then released from heme and may be transported into the bloodstream. Dietary heme iron is an important nutritional source of iron. Shows a higher affinity for folate than heme
Gene Name:: SLC46A1
Uniprot ID:: Q96NT5
Molecular weight:: 49770.0

References

Nakai Y, Inoue K, Abe N, Hatakeyama M, Ohta KY, Otagiri M, Hayashi Y, Yuasa H: Functional characterization of human proton-coupled folate transporter/heme carrier protein 1 heterologously expressed in mammalian cells as a folate transporter. J Pharmacol Exp Ther. 2007 Aug;322(2):469-76. Epub 2007 May 2. [PubMed:17475902 ]
Ashokkumar B, Mohammed ZM, Vaziri ND, Said HM: Effect of folate oversupplementation on folate uptake by human intestinal and renal epithelial cells. Am J Clin Nutr. 2007 Jul;86(1):159-66. [PubMed:17616776 ]

Enzyme Details

4. Multidrug resistance-associated protein 4

General function:: Involved in ATP binding
Specific function:: May be an organic anion pump relevant to cellular detoxification
Gene Name:: ABCC4
Uniprot ID:: O15439
Molecular weight:: 149525.3

References

Chen ZS, Lee K, Walther S, Raftogianis RB, Kuwano M, Zeng H, Kruh GD: Analysis of methotrexate and folate transport by multidrug resistance protein 4 (ABCC4): MRP4 is a component of the methotrexate efflux system. Cancer Res. 2002 Jun 1;62(11):3144-50. [PubMed:12036927 ]
Rius M, Nies AT, Hummel-Eisenbeiss J, Jedlitschky G, Keppler D: Cotransport of reduced glutathione with bile salts by MRP4 (ABCC4) localized to the basolateral hepatocyte membrane. Hepatology. 2003 Aug;38(2):374-84. [PubMed:12883481 ]

Enzyme Details

5. Solute carrier family 22 member 6

General function:: Involved in ion transmembrane transporter activity
Specific function:: Involved in the renal elimination of endogenous and exogenous organic anions. Functions as organic anion exchanger when the uptake of one molecule of organic anion is coupled with an efflux of one molecule of endogenous dicarboxylic acid (glutarate, ketoglutarate, etc). Mediates the sodium-independent uptake of 2,3-dimercapto-1-propanesulfonic acid (DMPS). Mediates the sodium-independent uptake of p- aminohippurate (PAH), ochratoxin (OTA), acyclovir (ACV), 3'-azido- 3-'deoxythymidine (AZT), cimetidine (CMD), 2,4-dichloro- phenoxyacetate (2,4-D), hippurate (HA), indoleacetate (IA), indoxyl sulfate (IS) and 3-carboxy-4-methyl-5-propyl-2- furanpropionate (CMPF), cidofovir, adefovir, 9-(2- phosphonylmethoxyethyl) guanine (PMEG), 9-(2- phosphonylmethoxyethyl) diaminopurine (PMEDAP) and edaravone sulfate. PAH uptake is inhibited by p- chloromercuribenzenesulphonate (PCMBS), diethyl pyrocarbonate (DEPC), sulindac, diclofenac, carprofen, glutarate and okadaic acid. PAH uptake is inhibited by benzothiazolylcysteine (BTC), S-chlorotrifluoroethylcysteine (CTFC), cysteine S-conjugates S-dichlorovinylcysteine (DCVC), furosemide, steviol, phorbol 12-myristate 13-acetate (PMA), calcium ionophore A23187, benzylpenicillin, furosemide, indomethacin, bumetamide, losartan, probenecid, phenol red, urate, and alpha-ketoglutarate
Gene Name:: SLC22A6
Uniprot ID:: Q4U2R8
Molecular weight:: 61815.8

References

Kuze K, Graves P, Leahy A, Wilson P, Stuhlmann H, You G: Heterologous expression and functional characterization of a mouse renal organic anion transporter in mammalian cells. J Biol Chem. 1999 Jan 15;274(3):1519-24. [PubMed:9880528 ]
Uwai Y, Okuda M, Takami K, Hashimoto Y, Inui K: Functional characterization of the rat multispecific organic anion transporter OAT1 mediating basolateral uptake of anionic drugs in the kidney. FEBS Lett. 1998 Nov 6;438(3):321-4. [PubMed:9827570 ]

Enzyme Details

6. ATP-binding cassette sub-family C member 11

General function:: Involved in ATP binding
Specific function:: Participates in physiological processes involving bile acids, conjugated steroids and cyclic nucleotides. Enhances the cellular extrusion of cAMP and cGMP. Stimulates the ATP-dependent uptake of a range of physiological and synthetic lipophilic anions, including the glutathione S-conjugates leukotriene C4 and dinitrophenyl S-glutathione, steroid sulfates such as dehydroepiandrosterone 3-sulfate (DHEAS) and estrone 3-sulfate, glucuronides such as estradiol 17-beta-D-glucuronide (E(2)17betaG), the monoanionic bile acids glycocholate and taurocholate, and methotrexate. Probably functions to secrete earwax
Gene Name:: ABCC11
Uniprot ID:: Q96J66
Molecular weight:: 154299.6

References

Chen ZS, Guo Y, Belinsky MG, Kotova E, Kruh GD: Transport of bile acids, sulfated steroids, estradiol 17-beta-D-glucuronide, and leukotriene C4 by human multidrug resistance protein 8 (ABCC11). Mol Pharmacol. 2005 Feb;67(2):545-57. Epub 2004 Nov 10. [PubMed:15537867 ]

Enzyme Details

7. Mitochondrial folate transporter/carrier

General function:: Involved in transporter activity
Specific function:: Transports folate across the inner membranes of mitochondria.
Gene Name:: SLC25A32
Uniprot ID:: Q9H2D1
Molecular weight:: 35406.83

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]

Only showing the first 10 proteins. There are 23 proteins in total.

Show all enzymes and transporters

Showing metabocard for Folic acid (HMDB0000121)

MOL for HMDB0000121 (Folic acid)

3D MOL for HMDB0000121 (Folic acid)

3D SDF for HMDB0000121 (Folic acid)

3D-SDF for HMDB0000121 (Folic acid)

PDB for HMDB0000121 (Folic acid)

3D PDB for HMDB0000121 (Folic acid)

SMILES for HMDB0000121 (Folic acid)

INCHI for HMDB0000121 (Folic acid)

Structure for HMDB0000121 (Folic acid)

3D Structure for HMDB0000121 (Folic acid)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References

Reactions

References

References

Transporters

References

References

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References