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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (9) Show 9 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:16:18 UTC

HMDB ID

HMDB0001354

Secondary Accession Numbers

HMDB01354

Metabolite Identification

Common Name

5,10-Methenyltetrahydrofolic acid

Description

Folate is important for cells and tissues that rapidly divide. Cancer cells divide rapidly, and drugs that interfere with folate metabolism are used to treat cancer. Methotrexate is a drug often used to treat cancer because it inhibits the production of the active form, tetrahydrofolate. Unfortunately, methotrexate can be toxic, producing side effects such as inflammation in the digestive tract that make it difficult to eat normally. Folinic acid is a form of folate that can help 'rescue' or reverse the toxic effects of methotrexate. Folinic acid is not the same as folic acid. Folic acid supplements have little established role in cancer chemotherapy. There have been cases of severe adverse effects of accidental substitution of folic acid for folinic acid in patients receiving methotrexate cancer chemotherapy. It is important for anyone receiving methotrexate to follow medical advice on the use of folic or folinic acid supplements. Low concentrations of folate, vitamin B12, or vitamin B6 may increase your level of homocysteine, an amino acid normally found in your blood. There is evidence that an elevated homocysteine level is an independent risk factor for heart disease and stroke. The evidence suggests that high levels of homocysteine may damage coronary arteries or make it easier for blood clotting cells called platelets to clump together and form a clot. However, there is currently no evidence available to suggest that lowering homocysteine with vitamins will reduce your risk of heart disease. Clinical intervention trials are needed to determine whether supplementation with folic acid, vitamin B12 or vitamin B6 can lower your risk of developing coronary heart disease. Methylene tetrahydrofolate (CH2FH4) is formed from tetrahydrofolate by the addition of methylene groups from one of three carbon donors: formaldehyde, serine, or glycine. Methyl tetrahydrofolate(CH3FH4) can be made from methylene tetrahydrofolate by reduction of the methylene group, and formyl tetrahydrofolate (CHOFH4, folinic acid) is made by oxidation of methylene tetrahydrofolate. In the form of a series of tetrahydrofolate compounds, folate derivatives are substrates in a number of single-carbon-transfer reactions, and also are involved in the synthesis of dTMP (2'-deoxythymidine-5'-phosphate) from dUMP (2'-deoxyuridine-5'-phosphate). It helps convert vitamin B12 to one of its coenzyme forms and helps synthesize the DNA required for all rapidly growing cells.

Structure

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

644350
  Mrv1652309042000212D          

 34 37  0  0  1  0            999 V2000
    1.9058    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    1.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808   -2.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2059    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1626    1.8546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -1.6629    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2059   -0.9484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0831    1.8659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1806    0.1786    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9184   -0.2339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6096   -0.6464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3603    0.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6227    1.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808   -0.9484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9683   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1806   -0.6464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3999   -0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951   -1.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683   -1.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6184   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3999    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669    1.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6096    0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8818    1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0934   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4434   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809   -0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559   -0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1108   -1.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  2  0  0  0  0
  3 21  2  0  0  0  0
  4 22  2  0  0  0  0
  5 26  2  0  0  0  0
  6 21  1  0  0  0  0
 14  7  1  6  0  0  0
  7 22  1  0  0  0  0
  8 24  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  2  0  0  0  0
  9 27  1  0  0  0  0
 10 18  1  0  0  0  0
 10 23  1  0  0  0  0
 10 28  1  0  0  0  0
 11 19  1  0  0  0  0
 11 25  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 24  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  1  0  0  0
 22 29  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

HMDB0001354
     RDKit          3D
5,10-Methenyltetrahydrofolic acid
 54 57  0  0  0  0  0  0  0  0999 V2000
   -8.8642    1.7349   -1.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5520    1.3753   -1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4659    1.5324   -2.0374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076    1.2072   -1.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2123    1.3619   -2.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0426    0.6924   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    0.5250    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3956    0.8683   -0.0338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9600   -0.0100    1.7067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011   -0.4744    2.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437   -0.6293    1.1843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3018   -0.3055    1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.0731    0.5578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288   -0.1688    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176   -0.7731    1.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9494   -1.0054    0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4987   -0.6380   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903   -0.8352   -0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -0.6610   -1.8486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193   -1.2232    0.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2175   -1.4141   -0.0935 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0231   -0.4861    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5647    0.9236    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7564    1.4067   -0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3070    0.7139   -1.6968 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3175    2.6877   -1.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6055   -2.8440    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3572   -3.1432    1.1225 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110   -3.8223   -0.6630 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6597   -0.0234   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3351    0.1961   -0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.7110   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7541    0.3191    0.1216 N   0  0  0  0  0  4  0  0  0  0  0  0
   -9.4205    2.5045   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2683    1.1707   -2.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2175    0.7352    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7932   -0.0785    2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4044    0.2215    3.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8544   -1.4799    2.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5815   -1.6513    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217    0.5863    2.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356   -1.1534    2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -1.0714    2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763   -1.4818    1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -1.3677    1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3182   -1.2493   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8056   -0.7366    1.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103   -0.5572    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    1.0017    0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    1.6077    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    2.7540   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    0.2754   -2.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.6770   -1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    1.4212   -1.0200 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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 13 32  1  0
 32 33  2  0
  8  2  1  0
 33 11  1  0
 33  6  1  0
 31 14  1  0
  1 34  1  0
  1 35  1  0
  8 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  6
 12 41  1  0
 12 42  1  0
 15 43  1  0
 16 44  1  0
 20 45  1  0
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 23 50  1  0
 26 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
M  CHG  2  29  -1  33   1
M  END

644350
  Mrv1652309042000212D          

 34 37  0  0  1  0            999 V2000
    1.9058    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    1.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808   -2.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2059    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1626    1.8546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -1.6629    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2059   -0.9484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0831    1.8659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1806    0.1786    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9184   -0.2339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6096   -0.6464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3603    0.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6227    1.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808   -0.9484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9683   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1806   -0.6464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3999   -0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951   -1.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683   -1.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6184   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3999    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3669    1.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6096    0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8818    1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0934   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4434   -0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809   -0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559   -0.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1108   -1.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  2  0  0  0  0
  3 21  2  0  0  0  0
  4 22  2  0  0  0  0
  5 26  2  0  0  0  0
  6 21  1  0  0  0  0
 14  7  1  6  0  0  0
  7 22  1  0  0  0  0
  8 24  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  2  0  0  0  0
  9 27  1  0  0  0  0
 10 18  1  0  0  0  0
 10 23  1  0  0  0  0
 10 28  1  0  0  0  0
 11 19  1  0  0  0  0
 11 25  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 24  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  1  0  0  0
 22 29  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  CHG  2   6  -1   9   1
M  END
> <DATABASE_ID>
HMDB0001354

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/t12-,13+/m1/s1

> <INCHI_KEY>
MEANFMOQMXYMCT-OLZOCXBDSA-N

> <FORMULA>
C20H21N7O6

> <MOLECULAR_WEIGHT>
455.424

> <EXACT_MASS>
455.155331439

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
45.38318064408257

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6aR)-8-(4-{[(1S)-1,3-dicarboxypropyl]-C-hydroxycarbonimidoyl}phenyl)-1-hydroxy-3-imino-3H,4H,5H,6H,6aH,7H-8lambda5-imidazo[1,5-f]pteridin-8-ylium

> <ALOGPS_LOGP>
-0.68

> <JCHEM_LOGP>
-3.2723940359857626

> <ALOGPS_LOGS>
-3.39

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.7122602199699957

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.985128746522236

> <JCHEM_PKA_STRONGEST_BASIC>
2.0370736672090084

> <JCHEM_POLAR_SURFACE_AREA>
196.76999999999998

> <JCHEM_REFRACTIVITY>
155.82450000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.07e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6aR)-8-(4-{[(1S)-1,3-dicarboxypropyl]-C-hydroxycarbonimidoyl}phenyl)-1-hydroxy-3-imino-4H,5H,6H,6aH,7H-8lambda5-imidazo[1,5-f]pteridin-8-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001354
     RDKit          3D
5,10-Methenyltetrahydrofolic acid
 54 57  0  0  0  0  0  0  0  0999 V2000
   -8.8642    1.7349   -1.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5520    1.3753   -1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4659    1.5324   -2.0374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076    1.2072   -1.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2123    1.3619   -2.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0426    0.6924   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    0.5250    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3956    0.8683   -0.0338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9600   -0.0100    1.7067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011   -0.4744    2.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437   -0.6293    1.1843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3018   -0.3055    1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.0731    0.5578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288   -0.1688    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176   -0.7731    1.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9494   -1.0054    0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4987   -0.6380   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903   -0.8352   -0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -0.6610   -1.8486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193   -1.2232    0.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2175   -1.4141   -0.0935 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0231   -0.4861    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5647    0.9236    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7564    1.4067   -0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3070    0.7139   -1.6968 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3175    2.6877   -1.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6055   -2.8440    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3572   -3.1432    1.1225 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110   -3.8223   -0.6630 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6597   -0.0234   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3351    0.1961   -0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.7110   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7541    0.3191    0.1216 N   0  0  0  0  0  4  0  0  0  0  0  0
   -9.4205    2.5045   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2683    1.1707   -2.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2175    0.7352    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7932   -0.0785    2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4044    0.2215    3.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8544   -1.4799    2.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5815   -1.6513    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217    0.5863    2.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356   -1.1534    2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -1.0714    2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763   -1.4818    1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -1.3677    1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3182   -1.2493   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8056   -0.7366    1.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103   -0.5572    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    1.0017    0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    1.6077    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    2.7540   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    0.2754   -2.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.6770   -1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    1.4212   -1.0200 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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 13 32  1  0
 32 33  2  0
  8  2  1  0
 33 11  1  0
 33  6  1  0
 31 14  1  0
  1 34  1  0
  1 35  1  0
  8 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  6
 12 41  1  0
 12 42  1  0
 15 43  1  0
 16 44  1  0
 20 45  1  0
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 23 50  1  0
 26 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
M  CHG  2  29  -1  33   1
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 644350                                            
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0       3.557   0.897   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       5.867   2.231   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       8.177  -4.438   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       9.718   0.897   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      18.970   3.462   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       5.867  -3.104   0.000  0.00  0.00           O-1
HETATM    7  N   UNK     0       9.718  -1.770   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      24.422   3.483   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      19.004   0.333   0.000  0.00  0.00           N+1
HETATM   10  N   UNK     0      16.648  -0.437   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      21.671  -1.207   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      23.073   1.114   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      21.696   3.520   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       8.177  -1.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.407  -0.437   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.867  -0.437   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.004  -1.207   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.546  -1.676   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      20.338  -1.977   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.097   0.897   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.407  -3.104   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.488  -0.437   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      17.546   0.803   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      23.085   2.718   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      21.671   0.333   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.313   2.707   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.338   1.103   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      15.108  -0.437   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.028  -0.437   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.338   0.897   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.338  -1.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.798   0.897   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.798  -1.770   0.000  0.00  0.00           C+0
HETATM   34  H   UNK     0      18.873  -2.432   0.000  0.00  0.00           H+0
CONECT    1   20                                                            
CONECT    2   20                                                            
CONECT    3   21                                                            
CONECT    4   22                                                            
CONECT    5   26                                                            
CONECT    6   21                                                            
CONECT    7   14   22                                                       
CONECT    8   24                                                            
CONECT    9   17   23   27                                                  
CONECT   10   18   23   28                                                  
CONECT   11   19   25                                                       
CONECT   12   24   25                                                       
CONECT   13   24   26                                                       
CONECT   14    7   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   20                                                       
CONECT   17    9   18   19   34                                             
CONECT   18   10   17                                                       
CONECT   19   11   17                                                       
CONECT   20    1    2   16                                                  
CONECT   21    3    6   14                                                  
CONECT   22    4    7   29                                                  
CONECT   23    9   10                                                       
CONECT   24    8   12   13                                                  
CONECT   25   11   12   27                                                  
CONECT   26    5   13   27                                                  
CONECT   27    9   25   26                                                  
CONECT   28   10   30   31                                                  
CONECT   29   22   32   33                                                  
CONECT   30   28   32                                                       
CONECT   31   28   33                                                       
CONECT   32   29   30                                                       
CONECT   33   29   31                                                       
CONECT   34   17                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

COMPND    HMDB0001354
HETATM    1  N1  UNL     1      -8.864   1.735  -1.732  1.00  0.00           N  
HETATM    2  C1  UNL     1      -7.552   1.375  -1.267  1.00  0.00           C  
HETATM    3  N2  UNL     1      -6.466   1.532  -2.037  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.208   1.207  -1.642  1.00  0.00           C  
HETATM    5  O1  UNL     1      -4.212   1.362  -2.375  1.00  0.00           O  
HETATM    6  C3  UNL     1      -5.043   0.692  -0.392  1.00  0.00           C  
HETATM    7  C4  UNL     1      -6.150   0.525   0.412  1.00  0.00           C  
HETATM    8  N3  UNL     1      -7.396   0.868  -0.034  1.00  0.00           N  
HETATM    9  N4  UNL     1      -5.960  -0.010   1.707  1.00  0.00           N  
HETATM   10  C5  UNL     1      -4.701  -0.474   2.238  1.00  0.00           C  
HETATM   11  C6  UNL     1      -3.644  -0.629   1.184  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.302  -0.305   1.791  1.00  0.00           C  
HETATM   13  N5  UNL     1      -1.586   0.073   0.558  1.00  0.00           N  
HETATM   14  C8  UNL     1      -0.229  -0.169   0.294  1.00  0.00           C  
HETATM   15  C9  UNL     1       0.618  -0.773   1.197  1.00  0.00           C  
HETATM   16  C10 UNL     1       1.949  -1.005   0.925  1.00  0.00           C  
HETATM   17  C11 UNL     1       2.499  -0.638  -0.277  1.00  0.00           C  
HETATM   18  C12 UNL     1       3.890  -0.835  -0.655  1.00  0.00           C  
HETATM   19  O2  UNL     1       4.260  -0.661  -1.849  1.00  0.00           O  
HETATM   20  N6  UNL     1       4.819  -1.223   0.331  1.00  0.00           N  
HETATM   21  C13 UNL     1       6.217  -1.414  -0.093  1.00  0.00           C  
HETATM   22  C14 UNL     1       7.023  -0.486   0.785  1.00  0.00           C  
HETATM   23  C15 UNL     1       6.565   0.924   0.570  1.00  0.00           C  
HETATM   24  C16 UNL     1       6.756   1.407  -0.813  1.00  0.00           C  
HETATM   25  O3  UNL     1       7.307   0.714  -1.697  1.00  0.00           O  
HETATM   26  O4  UNL     1       6.318   2.688  -1.191  1.00  0.00           O  
HETATM   27  C17 UNL     1       6.605  -2.844   0.171  1.00  0.00           C  
HETATM   28  O5  UNL     1       7.357  -3.143   1.122  1.00  0.00           O  
HETATM   29  O6  UNL     1       6.111  -3.822  -0.663  1.00  0.00           O1-
HETATM   30  C18 UNL     1       1.660  -0.023  -1.209  1.00  0.00           C  
HETATM   31  C19 UNL     1       0.335   0.196  -0.912  1.00  0.00           C  
HETATM   32  C20 UNL     1      -2.583   0.711  -0.236  1.00  0.00           C  
HETATM   33  N7  UNL     1      -3.754   0.319   0.122  1.00  0.00           N1+
HETATM   34  H1  UNL     1      -9.421   2.504  -1.350  1.00  0.00           H  
HETATM   35  H2  UNL     1      -9.268   1.171  -2.510  1.00  0.00           H  
HETATM   36  H3  UNL     1      -8.217   0.735   0.585  1.00  0.00           H  
HETATM   37  H4  UNL     1      -6.793  -0.079   2.338  1.00  0.00           H  
HETATM   38  H5  UNL     1      -4.404   0.222   3.050  1.00  0.00           H  
HETATM   39  H6  UNL     1      -4.854  -1.480   2.704  1.00  0.00           H  
HETATM   40  H7  UNL     1      -3.581  -1.651   0.760  1.00  0.00           H  
HETATM   41  H8  UNL     1      -2.422   0.586   2.457  1.00  0.00           H  
HETATM   42  H9  UNL     1      -1.836  -1.153   2.295  1.00  0.00           H  
HETATM   43  H10 UNL     1       0.193  -1.071   2.159  1.00  0.00           H  
HETATM   44  H11 UNL     1       2.576  -1.482   1.656  1.00  0.00           H  
HETATM   45  H12 UNL     1       4.539  -1.368   1.311  1.00  0.00           H  
HETATM   46  H13 UNL     1       6.318  -1.249  -1.161  1.00  0.00           H  
HETATM   47  H14 UNL     1       6.806  -0.737   1.846  1.00  0.00           H  
HETATM   48  H15 UNL     1       8.110  -0.557   0.569  1.00  0.00           H  
HETATM   49  H16 UNL     1       5.465   1.002   0.817  1.00  0.00           H  
HETATM   50  H17 UNL     1       7.141   1.608   1.259  1.00  0.00           H  
HETATM   51  H18 UNL     1       5.526   2.754  -1.818  1.00  0.00           H  
HETATM   52  H19 UNL     1       2.092   0.275  -2.176  1.00  0.00           H  
HETATM   53  H20 UNL     1      -0.300   0.677  -1.654  1.00  0.00           H  
HETATM   54  H21 UNL     1      -2.310   1.421  -1.020  1.00  0.00           H  
CONECT    1    2   34   35
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   33
CONECT    7    8    9
CONECT    8   36
CONECT    9   10   37
CONECT   10   11   38   39
CONECT   11   12   33   40
CONECT   12   13   41   42
CONECT   13   14   32
CONECT   14   15   15   31
CONECT   15   16   43
CONECT   16   17   17   44
CONECT   17   18   30
CONECT   18   19   19   20
CONECT   20   21   45
CONECT   21   22   27   46
CONECT   22   23   47   48
CONECT   23   24   49   50
CONECT   24   25   25   26
CONECT   26   51
CONECT   27   28   28   29
CONECT   30   31   31   52
CONECT   31   53
CONECT   32   33   33   54
END

HMDB0001354
     RDKit          3D
5,10-Methenyltetrahydrofolic acid
 54 57  0  0  0  0  0  0  0  0999 V2000
   -8.8642    1.7349   -1.7321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5520    1.3753   -1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4659    1.5324   -2.0374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076    1.2072   -1.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2123    1.3619   -2.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0426    0.6924   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1500    0.5250    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3956    0.8683   -0.0338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9600   -0.0100    1.7067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011   -0.4744    2.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437   -0.6293    1.1843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3018   -0.3055    1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5862    0.0731    0.5578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288   -0.1688    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176   -0.7731    1.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9494   -1.0054    0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4987   -0.6380   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903   -0.8352   -0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -0.6610   -1.8486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193   -1.2232    0.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2175   -1.4141   -0.0935 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0231   -0.4861    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5647    0.9236    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7564    1.4067   -0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3070    0.7139   -1.6968 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3175    2.6877   -1.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6055   -2.8440    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3572   -3.1432    1.1225 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110   -3.8223   -0.6630 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6597   -0.0234   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3351    0.1961   -0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.7110   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7541    0.3191    0.1216 N   0  0  0  0  0  4  0  0  0  0  0  0
   -9.4205    2.5045   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2683    1.1707   -2.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2175    0.7352    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7932   -0.0785    2.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4044    0.2215    3.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8544   -1.4799    2.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5815   -1.6513    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217    0.5863    2.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356   -1.1534    2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -1.0714    2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763   -1.4818    1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5392   -1.3677    1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3182   -1.2493   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8056   -0.7366    1.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103   -0.5572    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    1.0017    0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    1.6077    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    2.7540   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    0.2754   -2.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    0.6770   -1.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    1.4212   -1.0200 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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 17 30  1  0
 30 31  2  0
 13 32  1  0
 32 33  2  0
  8  2  1  0
 33 11  1  0
 33  6  1  0
 31 14  1  0
  1 34  1  0
  1 35  1  0
  8 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  6
 12 41  1  0
 12 42  1  0
 15 43  1  0
 16 44  1  0
 20 45  1  0
 21 46  1  6
 22 47  1  0
 22 48  1  0
 23 49  1  0
 23 50  1  0
 26 51  1  0
 30 52  1  0
 31 53  1  0
 32 54  1  0
M  CHG  2  29  -1  33   1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
5,10-Methenyltetrahydrofolate	Generator
5,10-Methenyl-THF	HMDB
Anhydro-leucovorin	HMDB
Anhydro-leucovorin a	HMDB
Anhydroleucovorin	HMDB
Anhydroleucovorin a	HMDB
CH-THF	HMDB
Methenyl-tetrahydrofolate	HMDB
Methenyl-THF	HMDB
Methenyltetrahydrofolate	HMDB
Methenyltetrahydrofolic acid	HMDB
N5-N10-CH-THF	HMDB
N5-N10-Methenyltetrahydrofolate	HMDB
5,10-Methenyltetrahydropteroylglutamate	HMDB
N5,N10-Methenyl tetrahydrofolate	HMDB

Chemical Formula

C₂₀H₂₁N₇O₆

Average Molecular Weight

455.424

Monoisotopic Molecular Weight

455.155331439

IUPAC Name

(6aR)-8-(4-{[(1S)-1,3-dicarboxypropyl]-C-hydroxycarbonimidoyl}phenyl)-1-hydroxy-3-imino-3H,4H,5H,6H,6aH,7H-8lambda5-imidazo[1,5-f]pteridin-8-ylium

Traditional Name

(6aR)-8-(4-{[(1S)-1,3-dicarboxypropyl]-C-hydroxycarbonimidoyl}phenyl)-1-hydroxy-3-imino-4H,5H,6H,6aH,7H-8lambda5-imidazo[1,5-f]pteridin-8-ylium

CAS Registry Number

7444-29-3

SMILES

[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O

InChI Identifier

InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/t12-,13+/m1/s1

InChI Key

MEANFMOQMXYMCT-OLZOCXBDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Tetrahydrofolic acids

Alternative Parents

Substituents

Tetrahydrofolic acid
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Hippuric acid
Hippuric acid or derivatives
Alpha-amino acid or derivatives
Benzamide
Benzoic acid or derivatives
Aniline or substituted anilines
Benzoyl
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Monocyclic benzene moiety
Pyrimidine
Dicarboxylic acid or derivatives
Benzenoid
Vinylogous amide
Heteroaromatic compound
2-imidazoline
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Carboxylic acid salt
Amino acid or derivatives
Amidine
Azacycle
Carboxylic acid amidine
Organic 1,3-dipolar compound
Carboxylic acid derivative
Propargyl-type 1,3-dipolar organic compound
Carboxylic acid
Secondary amine
Organic oxygen compound
Amine
Carbonyl group
Organic salt
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Organic zwitterion
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0001354)
Mitochondria (HMDB: HMDB0001354)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Folate Metabolism (HMDB: HMDB0001354)
One Carbon Pool by Folate (PathBank: SMP0001750)
Glycine Metabolism (PathBank: SMP0002320)
Serine Metabolism (PathBank: SMP0002323)
Tetrahydrofolate Biosynthesis (PathBank: SMP0002334)
One Carbon Pool by Folate I (PathBank: SMP0002369)

Drug action pathway

Methotrexate Action Pathway (PathBank: SMP0000432)

Disease pathway

Methylenetetrahydrofolate Reductase Deficiency (MTHFRD) (PathBank: SMP0000543)
Folate Malabsorption, Hereditary (PathBank: SMP0000724)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.21 g/L	ALOGPS
logP	-0.68	ALOGPS
logP	-3.3	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	2.99	ChemAxon
pKa (Strongest Basic)	2.04	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	196.77 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	155.82 m³·mol⁻¹	ChemAxon
Polarizability	45.38 Å³	ChemAxon
Number of Rings	4	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
AllCCS	[M+H]+	198.64	32859911
AllCCS	[M-H]-	197.097	32859911
DeepCCS	[M-2H]-	231.229	30932474
DeepCCS	[M+Na]+	206.652	30932474
AllCCS	[M+H]+	198.6	32859911
AllCCS	[M+H-H2O]+	196.8	32859911
AllCCS	[M+NH4]+	200.3	32859911
AllCCS	[M+Na]+	200.8	32859911
AllCCS	[M-H]-	197.1	32859911
AllCCS	[M+Na-2H]-	197.1	32859911
AllCCS	[M+HCOO]-	197.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5,10-Methenyltetrahydrofolic acid	[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O	5487.6	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid	[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O	4257.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid	[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O	5275.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5,10-Methenyltetrahydrofolic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)C(=O)[O-]	4728.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1	4868.0	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TMS,isomer #3	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	4686.8	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TMS,isomer #4	C[Si](C)(C)N1C(N)=NC(=O)C2=C1NC[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	4771.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4713.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)[NH]1	4765.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)[NH]1	4643.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)[NH]1	6597.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #10	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N)=NC2=O	4650.5	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #10	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N)=NC2=O	4595.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #10	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N)=NC2=O	6401.8	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #11	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4666.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #11	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4429.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #11	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	6608.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[Si](C)(C)C	4637.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[Si](C)(C)C	4474.4	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[Si](C)(C)C	6485.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	4704.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	4522.9	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	6641.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	4571.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	4629.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	6336.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1)[Si](C)(C)C	4837.5	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1)[Si](C)(C)C	4638.9	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1)[Si](C)(C)C	6576.1	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4803.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4659.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	6611.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	4737.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	4708.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	6305.1	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)[NH]1	4754.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)[NH]1	4539.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)[NH]1	6549.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #9	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	4544.5	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #9	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	4494.9	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TMS,isomer #9	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	6285.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	4715.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	4619.0	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	6271.4	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #10	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4713.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #10	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4541.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #10	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	6227.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4688.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4725.9	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	5955.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4663.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4552.6	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	6271.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]21	4581.2	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]21	4596.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]21	5963.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #14	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N)=NC2=O	4530.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #14	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N)=NC2=O	4512.4	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #14	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N)=NC2=O	6116.6	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4689.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4608.1	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	6312.6	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C3)C=[N+]21	4609.2	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C3)C=[N+]21	4679.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C3)C=[N+]21	6012.5	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)[NH]1	4635.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)[NH]1	4545.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)[NH]1	6226.9	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C	4560.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C	4441.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C	6339.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C	4436.0	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C	4527.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C	6019.9	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	4567.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	4601.6	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	6168.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #8	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C)[Si](C)(C)C	4786.0	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #8	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C)[Si](C)(C)C	4639.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #8	C[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C)[Si](C)(C)C	6281.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #9	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4717.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #9	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4647.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TMS,isomer #9	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	6007.1	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	4599.8	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	4561.4	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	5884.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #10	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4578.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #10	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4584.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #10	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	5663.1	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4541.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4635.7	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	5624.4	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	4667.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	4597.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	5960.1	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	4607.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	4645.4	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	5712.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4575.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	4680.6	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C	5662.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4553.2	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4521.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	5951.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]21	4463.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]21	4579.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]21	5662.9	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C	4437.5	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C	4527.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C	5892.5	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #8	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4691.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #8	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4711.9	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #8	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	5640.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #9	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4645.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #9	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4572.9	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,4TMS,isomer #9	C[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	5917.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	4577.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	4544.1	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	5625.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C	4485.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C	4606.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)N([Si](C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C	5392.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	4596.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	4684.1	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)C(=O)[O-]	5369.5	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4449.8	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	4605.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C	5355.5	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #5	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4566.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #5	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4667.4	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,5TMS,isomer #5	C[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	5346.6	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	4497.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	4656.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C)C[C@@H]3C2)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC4=O)C=C1)[Si](C)(C)C	5076.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)C(=O)[O-]	5031.0	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1	5085.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	4977.2	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(N)=NC(=O)C2=C1NC[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	5005.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4980.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C4)C=[N+]23)[NH]1	5204.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C4)C=[N+]23)[NH]1	5058.7	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C4)C=[N+]23)[NH]1	6456.8	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	5154.5	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	5023.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	6325.4	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	5153.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	4878.0	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	6445.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[Si](C)(C)C(C)(C)C	5153.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[Si](C)(C)C(C)(C)C	4899.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N)=NC4=O)C=C1)[Si](C)(C)C(C)(C)C	6376.4	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	5178.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	4953.6	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	6480.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	5120.2	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	5008.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)C=C1)C(=O)[O-]	6288.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1)[Si](C)(C)C(C)(C)C	5262.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1)[Si](C)(C)C(C)(C)C	5055.1	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)[NH]1)[Si](C)(C)C(C)(C)C	6437.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5233.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5078.1	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	6388.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	5170.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	5101.4	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]21	6254.7	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C4)C=[N+]23)[NH]1	5175.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C4)C=[N+]23)[NH]1	4973.0	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C4)C=[N+]23)[NH]1	6411.8	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	5088.5	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	4912.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1[NH]C(N)=NC2=O	6246.5	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC4=O)C=C1)C(=O)[O-]	5311.9	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC4=O)C=C1)C(=O)[O-]	5234.1	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC4=O)C=C1)C(=O)[O-]	6093.4	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	5304.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	5178.7	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC4=O)C=C1)[C@@H](CCC(=O)O)C(=O)[O-]	6056.2	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5285.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5306.7	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)C[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5867.8	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5256.0	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5167.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	6049.6	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]21	5184.6	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]21	5189.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]21	5911.5	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	5219.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	5131.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N([C@@H](CCC(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C)C=C3)C=[N+]2C2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	6052.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5278.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	5202.9	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C	6078.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C3)C=[N+]21	5204.7	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C3)C=[N+]21	5242.5	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)C[C@@H]1CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-])C=C3)C=[N+]21	5938.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=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=C4)C=[N+]23)[NH]1	5215.1	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=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=C4)C=[N+]23)[NH]1	5160.8	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NC[C@@H]3CN(C4=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=C4)C=[N+]23)[NH]1	6083.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C(C)(C)C	5236.5	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C(C)(C)C	5068.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C(NC[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)[Si](C)(C)C(C)(C)C	6186.3	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C(C)(C)C	5175.4	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C(C)(C)C	5099.6	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)[O-])N(C(=O)C1=CC=C(N2C=[N+]3C4=C([NH]C(N)=NC4=O)N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)C=C1)[Si](C)(C)C(C)(C)C	5990.4	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	5248.3	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	5187.1	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)C1=CC=C(N2C=[N+]3C4=C(N([Si](C)(C)C(C)(C)C)C[C@@H]3C2)N([Si](C)(C)C(C)(C)C)C(N)=NC4=O)C=C1)C(=O)[O-]	6090.0	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5340.8	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5251.3	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NC[C@@H]3CN(C4=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C4)C=[N+]23)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6044.6	Standard polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	5311.8	Semi standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	5235.2	Standard non polar	33892256
5,10-Methenyltetrahydrofolic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C[C@@H]2CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C=C3)C=[N+]2C2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	5915.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5,10-Methenyltetrahydrofolic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-2408900000-90c26f197ed01948843b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5,10-Methenyltetrahydrofolic acid GC-MS (1 TMS) - 70eV, Positive	splash10-0230-9506630000-d9b025a3f36832b17d97	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5,10-Methenyltetrahydrofolic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5,10-Methenyltetrahydrofolic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 10V, Positive-QTOF	splash10-0a4i-0000900000-9a74d30be444557240b0	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 20V, Positive-QTOF	splash10-0a4i-0000900000-87ffec278a0d552070d3	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 40V, Positive-QTOF	splash10-056r-9210100000-8e44a81962b4227dbc32	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 10V, Negative-QTOF	splash10-0udi-0000900000-6e21d81553cf048dcee3	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 20V, Negative-QTOF	splash10-0udi-2000900000-e3e2170131566f2c34e9	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 40V, Negative-QTOF	splash10-0006-9300100000-8e0fa01b9b99e8b1fea8	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 10V, Positive-QTOF	splash10-0a4i-0003900000-a08e1d1cb1452492cc40	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 20V, Positive-QTOF	splash10-0bt9-2109100000-a099f262b4e99916ab71	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 40V, Positive-QTOF	splash10-053r-0396000000-4a34a1ca0c2780791f62	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 10V, Negative-QTOF	splash10-0f79-0004900000-b7d25e9a9f2b33373222	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 20V, Negative-QTOF	splash10-001u-4129500000-674f21af43f4a24fc9aa	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5,10-Methenyltetrahydrofolic acid 40V, Negative-QTOF	splash10-0f9y-9643100000-a3b87dfc44080a520c03	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
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

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022573

KNApSAcK ID

Not Available

Chemspider ID

559356

KEGG Compound ID

C00445

BioCyc ID

Not Available

BiGG ID

34999

Wikipedia Link

5,10-Methenyltetrahydrofolate

METLIN ID

6185

PubChem Compound

135450599

PDB ID

Not Available

ChEBI ID

15636

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Field MS, Anderson DD, Stover PJ: Mthfs is an Essential Gene in Mice and a Component of the Purinosome. Front Genet. 2011 Jun 20;2:36. doi: 10.3389/fgene.2011.00036. eCollection 2011. [PubMed:22303332 ]
Oberpichler I, Pierik AJ, Wesslowski J, Pokorny R, Rosen R, Vugman M, Zhang F, Neubauer O, Ron EZ, Batschauer A, Lamparter T: A photolyase-like protein from Agrobacterium tumefaciens with an iron-sulfur cluster. PLoS One. 2011;6(10):e26775. doi: 10.1371/journal.pone.0026775. Epub 2011 Oct 31. [PubMed:22066008 ]
Telegina TA, Liudnikova TA, Zemskova IuL, Sviridov EA, Kritskii MS: [Tolerance of 5,10-methenyltetrahydrofolate to ultraviolet radiation]. Prikl Biokhim Mikrobiol. 2005 May-Jun;41(3):315-23. [PubMed:15977793 ]
Eadsforth TC, Cameron S, Hunter WN: The crystal structure of Leishmania major N(5),N(10)-methylenetetrahydrofolate dehydrogenase/cyclohydrolase and assessment of a potential drug target. Mol Biochem Parasitol. 2012 Feb;181(2):178-85. doi: 10.1016/j.molbiopara.2011.11.004. Epub 2011 Nov 15. [PubMed:22108435 ]
Lin CJ, Wen MJ, Hung YJ, Pei D, Kuo SW, Hsieh CH: The impact of 5,10-methenyltetrahydrofolate synthetase polymorphism on diabetic nephropathy in the Taiwanese population. Genet Test Mol Biomarkers. 2012 Feb;16(2):142-5. doi: 10.1089/gtmb.2011.0050. Epub 2011 Sep 6. [PubMed:21895484 ]
Field MS, Szebenyi DM, Stover PJ: Regulation of de novo purine biosynthesis by methenyltetrahydrofolate synthetase in neuroblastoma. J Biol Chem. 2006 Feb 17;281(7):4215-21. Epub 2005 Dec 19. [PubMed:16365037 ]
Kruszyna L, Lianeri M, Rydzanicz M, Gajecka M, Szyfter K, Jagodzinski PP: Polymorphic variants of folate metabolism genes and the risk of laryngeal cancer. Mol Biol Rep. 2010 Jan;37(1):241-7. doi: 10.1007/s11033-009-9643-y. Epub 2009 Aug 1. [PubMed:19649727 ]
Moldt J, Pokorny R, Orth C, Linne U, Geisselbrecht Y, Marahiel MA, Essen LO, Batschauer A: Photoreduction of the folate cofactor in members of the photolyase family. J Biol Chem. 2009 Aug 7;284(32):21670-83. doi: 10.1074/jbc.M109.018697. Epub 2009 Jun 16. [PubMed:19531478 ]
Ogwang S, Nguyen HT, Sherman M, Bajaksouzian S, Jacobs MR, Boom WH, Zhang GF, Nguyen L: Bacterial conversion of folinic acid is required for antifolate resistance. J Biol Chem. 2011 Apr 29;286(17):15377-90. doi: 10.1074/jbc.M111.231076. Epub 2011 Mar 3. [PubMed:21372133 ]
Watkins D, Rosenblatt DS: Update and new concepts in vitamin responsive disorders of folate transport and metabolism. J Inherit Metab Dis. 2012 Jul;35(4):665-70. doi: 10.1007/s10545-011-9418-1. Epub 2011 Nov 23. [PubMed:22108709 ]
Kariluoto S, Edelmann M, Herranen M, Lampi AM, Shmelev A, Salovaara H, Korhola M, Piironen V: Production of folate by bacteria isolated from oat bran. Int J Food Microbiol. 2010 Sep 30;143(1-2):41-7. doi: 10.1016/j.ijfoodmicro.2010.07.026. Epub 2010 Aug 11. [PubMed:20708290 ]
Selby CP, Sancar A: The second chromophore in Drosophila photolyase/cryptochrome family photoreceptors. Biochemistry. 2012 Jan 10;51(1):167-71. doi: 10.1021/bi201536w. Epub 2011 Dec 27. [PubMed:22175817 ]
Jahansouz H, Scherubel DM, Himes RH: Formylation of tetrahydrofolate by formyl phosphate. FEBS Lett. 1990 Mar 26;262(2):366-8. [PubMed:2335221 ]
Tolley M, Bickford L, Clare K, Johann TW: Investigations of amino acids in the ATP binding site of 5,10-methenyltetrahydrofolate synthetase. Protein J. 2012 Aug;31(6):519-28. doi: 10.1007/s10930-012-9428-3. [PubMed:22773193 ]
Wijaya IM, Zhang Y, Iwata T, Yamamoto J, Hitomi K, Iwai S, Getzoff ED, Kandori H: Detection of distinct alpha-helical rearrangements of cyclobutane pyrimidine dimer photolyase upon substrate binding by Fourier transform infrared spectroscopy. Biochemistry. 2013 Feb 12;52(6):1019-27. doi: 10.1021/bi3016179. Epub 2013 Jan 30. [PubMed:23331252 ]
Upadhyay V, Demmer U, Warkentin E, Moll J, Shima S, Ermler U: Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase. Biochemistry. 2012 Oct 23;51(42):8435-43. doi: 10.1021/bi300777k. Epub 2012 Oct 8. [PubMed:23013430 ]
Kirsch SH, Knapp JP, Herrmann W, Obeid R: Quantification of key folate forms in serum using stable-isotope dilution ultra performance liquid chromatography-tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2010 Jan 1;878(1):68-75. doi: 10.1016/j.jchromb.2009.11.021. [PubMed:19959403 ]
Knock E, Deng L, Krupenko N, Mohan RD, Wu Q, Leclerc D, Gupta S, Elmore CL, Kruger W, Tini M, Rozen R: Susceptibility to intestinal tumorigenesis in folate-deficient mice may be influenced by variation in one-carbon metabolism and DNA repair. J Nutr Biochem. 2011 Nov;22(11):1022-9. doi: 10.1016/j.jnutbio.2010.07.015. Epub 2010 Dec 28. [PubMed:21193302 ]

Enzymes

Enzyme Details

1. Trifunctional purine biosynthetic protein adenosine-3

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GART
Uniprot ID:: P22102
Molecular weight:: 107766.295

Reactions

Glycineamideribotide + 5,10-Methenyltetrahydrofolic acid + Water → 5'-Phosphoribosyl-N-formylglycinamide + Tetrahydrofolic acid	details

Enzyme Details

2. 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

Reactions

5-Formiminotetrahydrofolic acid → 5,10-Methenyltetrahydrofolic acid + Ammonia	details
5-Formiminotetrahydrofolic acid + Hydrogen Ion → 5,10-Methenyltetrahydrofolic acid + Ammonia	details

Enzyme Details

3. Aminomethyltransferase, mitochondrial

General function:: Involved in aminomethyltransferase activity
Specific function:: The glycine cleavage system catalyzes the degradation of glycine.
Gene Name:: AMT
Uniprot ID:: P48728
Molecular weight:: 43945.65

Reactions

Folinic acid → 5,10-Methenyltetrahydrofolic acid + Water	details

Enzyme Details

4. Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: MTHFD2
Uniprot ID:: P13995
Molecular weight:: 37894.775

Reactions

5,10-Methylene-THF + NAD → 5,10-Methenyltetrahydrofolic acid + NADH	details
5,10-Methenyltetrahydrofolic acid + Water → 10-Formyltetrahydrofolate	details
5,10-Methenyltetrahydrofolic acid + Water → 10-Formyltetrahydrofolate + Hydrogen Ion	details

Enzyme Details

5. C-1-tetrahydrofolate synthase, cytoplasmic

General function:: Involved in formate-tetrahydrofolate ligase activity
Specific function:: Not Available
Gene Name:: MTHFD1
Uniprot ID:: P11586
Molecular weight:: 101530.36

Reactions

5,10-Methylene-THF + NADP → 5,10-Methenyltetrahydrofolic acid + NADPH	details
5,10-Methenyltetrahydrofolic acid + Water → 10-Formyltetrahydrofolate	details
5,10-Methenyltetrahydrofolic acid + Water → 10-Formyltetrahydrofolate + Hydrogen Ion	details

Enzyme Details

6. 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

Reactions

Adenosine triphosphate + Folinic acid → ADP + Phosphate + 5,10-Methenyltetrahydrofolic acid	details
Adenosine triphosphate + Folinic acid + Hydrogen Ion → ADP + Phosphate + 5,10-Methenyltetrahydrofolic acid	details

Enzyme Details

7. Probable bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase 2

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: MTHFD2L
Uniprot ID:: Q9H903
Molecular weight:: 37315.11

Reactions

5,10-Methylene-THF + NAD → 5,10-Methenyltetrahydrofolic acid + NADH	details
5,10-Methenyltetrahydrofolic acid + Water → 10-Formyltetrahydrofolate	details
5,10-Methenyltetrahydrofolic acid + Water → 10-Formyltetrahydrofolate + Hydrogen Ion	details

Enzyme Details

8. Monofunctional C1-tetrahydrofolate synthase, mitochondrial

General function:: Involved in formate-tetrahydrofolate ligase activity
Specific function:: May provide the missing metabolic reaction required to link the mitochondria and the cytoplasm in the mammalian model of one-carbon folate metabolism in embryonic an transformed cells complementing thus the enzymatic activities of MTHFD2 (By similarity).
Gene Name:: MTHFD1L
Uniprot ID:: Q6UB35
Molecular weight:: 105888.19

Enzyme Details

9. Methylenetetrahydrofolate dehydrogenase (NADP+ dependent) 2, methenyltetrahydrofolate cyclohydrolase

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: MTHFD2
Uniprot ID:: Q7Z650
Molecular weight:: 26849.1

Showing metabocard for 5,10-Methenyltetrahydrofolic acid (HMDB0001354)

MOL for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

3D MOL for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

3D SDF for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

3D-SDF for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

PDB for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

3D PDB for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

SMILES for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

INCHI for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

Structure for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

3D Structure for HMDB0001354 (5,10-Methenyltetrahydrofolic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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