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Showing metabocard for beta-L-Arabinose 1-phosphate (HMDB0012195)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:20:49 UTC
Update Date2021-09-14 15:40:56 UTC
HMDB IDHMDB0012195
Secondary Accession Numbers
  • HMDB12195
Metabolite Identification
Common Namebeta-L-Arabinose 1-phosphate
Descriptionbeta-L-Arabinose 1-phosphate is an intermediate in UDP-L-arabinose biosynthesis II (from L-arabinose) pathway. Although little is known about the incorporation of arabinose into these polymers or the contribution of the arabinosyl-substituents to the functions of the polymers, it has been demonstrated that arabinose-containing polymers are derived from UDP-L-arabinose, the activated sugar used by arabinosyltransferases. The formation of UDP-L-arabinose occurs via two routes: 1) a salvage pathway leading to the formation of UDP-L-arabinose from free arabinose, and 2) a de novo synthesis route involving the epimerization of UDP-D-xylose by a UDP-D-xylose 4-epimerase. The formation of UDP-L-arabinose at the end of the salvage pathway is achieved by a UDP-L-arabinose pyrophosphorylase. An enzyme with such activity has been purified from pea sprouts. This enzyme (USP for UDP-sugar pyrophosphorylase) was shown to have a broad range of monosaccharide substrates.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0012195 (beta-L-Arabinose 1-phosphate)

  Mrv1652309042000342D          

 18 18  0  0  1  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  6  0  0  0
  4  8  1  6  0  0  0
 12  1  1  0  0  0  0
 12  5  1  0  0  0  0
  5 13  1  6  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
  2 15  1  6  0  0  0
  3 16  1  6  0  0  0
  4 17  1  1  0  0  0
  5 18  1  1  0  0  0
M  END
Download

3D MOL for HMDB0012195 (beta-L-Arabinose 1-phosphate)

HMDB0012195
     RDKit          3D
beta-L-Arabinose 1-phosphate
 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6441   -0.0435   -1.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    0.0877   -0.4382 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.6602    1.7057   -0.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -0.5095    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.8956   -0.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848   -0.1427   -0.3208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3405   -0.3388   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -0.8125   -1.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249   -0.1577   -0.0113 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2535    0.7749   -0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251    0.4319    1.0464 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0905    1.7201    0.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -0.4318    1.0087 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5046   -1.7891    1.0328 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    2.1490   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -0.3267    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.9455   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -1.9386   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1989   -0.6356   -2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.9561    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190    1.2021    0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8763    0.3937    2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5592    2.0114   -0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131   -0.1630    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -2.2809    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13  6  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  1
  8 18  1  0
  8 19  1  0
  9 20  1  1
 10 21  1  0
 11 22  1  1
 12 23  1  0
 13 24  1  1
 14 25  1  0
M  END
Download

3D SDF for HMDB0012195 (beta-L-Arabinose 1-phosphate)

  Mrv1652309042000342D          

 18 18  0  0  1  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  6  0  0  0
  4  8  1  6  0  0  0
 12  1  1  0  0  0  0
 12  5  1  0  0  0  0
  5 13  1  6  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
  2 15  1  6  0  0  0
  3 16  1  6  0  0  0
  4 17  1  1  0  0  0
  5 18  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0012195

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]1(O)CO[C@]([H])(OP(O)(O)=O)[C@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1

> <INCHI_KEY>
ILXHFXFPPZGENN-QMKXCQHVSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.1098

> <EXACT_MASS>
230.01915384

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.815346255248436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.91

> <JCHEM_LOGP>
-2.425770307333333

> <ALOGPS_LOGS>
-0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.2202268460405445

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1565307698131155

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526611513944256

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
40.8338

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.50e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-L-arabinose 1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0012195 (beta-L-Arabinose 1-phosphate)

HMDB0012195
     RDKit          3D
beta-L-Arabinose 1-phosphate
 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6441   -0.0435   -1.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    0.0877   -0.4382 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.6602    1.7057   -0.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -0.5095    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.8956   -0.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848   -0.1427   -0.3208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3405   -0.3388   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -0.8125   -1.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249   -0.1577   -0.0113 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2535    0.7749   -0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251    0.4319    1.0464 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0905    1.7201    0.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -0.4318    1.0087 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5046   -1.7891    1.0328 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    2.1490   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -0.3267    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.9455   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -1.9386   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1989   -0.6356   -2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.9561    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190    1.2021    0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8763    0.3937    2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5592    2.0114   -0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131   -0.1630    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -2.2809    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13  6  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  1
  8 18  1  0
  8 19  1  0
  9 20  1  1
 10 21  1  0
 11 22  1  1
 12 23  1  0
 13 24  1  1
 14 25  1  0
M  END
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PDB for HMDB0012195 (beta-L-Arabinose 1-phosphate)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.897  -4.414   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.437  -1.746   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0       2.667  -3.080   0.000  0.00  0.00           P+0
HETATM   15  H   UNK     0       0.000   3.080   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0      -1.334   0.770   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
CONECT    1    2   12                                                       
CONECT    2    1    3    6   15                                             
CONECT    3    2    4    7   16                                             
CONECT    4    3    5    8   17                                             
CONECT    5    4   12   13   18                                             
CONECT    6    2                                                            
CONECT    7    3                                                            
CONECT    8    4                                                            
CONECT    9   14                                                            
CONECT   10   14                                                            
CONECT   11   14                                                            
CONECT   12    1    5                                                       
CONECT   13    5   14                                                       
CONECT   14    9   10   11   13                                             
CONECT   15    2                                                            
CONECT   16    3                                                            
CONECT   17    4                                                            
CONECT   18    5                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END
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3D PDB for HMDB0012195 (beta-L-Arabinose 1-phosphate)

COMPND    HMDB0012195
HETATM    1  O1  UNL     1       3.644  -0.043  -1.824  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.018   0.088  -0.438  1.00  0.00           P  
HETATM    3  O2  UNL     1       2.660   1.706  -0.090  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.140  -0.510   0.679  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.662  -0.896  -0.385  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.485  -0.143  -0.321  1.00  0.00           C  
HETATM    7  O5  UNL     1      -0.341  -0.339  -1.382  1.00  0.00           O  
HETATM    8  C2  UNL     1      -1.586  -0.812  -1.131  1.00  0.00           C  
HETATM    9  C3  UNL     1      -2.325  -0.158  -0.011  1.00  0.00           C  
HETATM   10  O6  UNL     1      -3.254   0.775  -0.480  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.425   0.432   1.046  1.00  0.00           C  
HETATM   12  O7  UNL     1      -1.091   1.720   0.670  1.00  0.00           O  
HETATM   13  C5  UNL     1      -0.157  -0.432   1.009  1.00  0.00           C  
HETATM   14  O8  UNL     1      -0.505  -1.789   1.033  1.00  0.00           O  
HETATM   15  H1  UNL     1       2.347   2.149  -0.934  1.00  0.00           H  
HETATM   16  H2  UNL     1       5.063  -0.327   0.337  1.00  0.00           H  
HETATM   17  H3  UNL     1       0.787   0.946  -0.323  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.579  -1.939  -1.038  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.199  -0.636  -2.066  1.00  0.00           H  
HETATM   20  H6  UNL     1      -2.927  -0.956   0.502  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.719   1.202   0.252  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.876   0.394   2.057  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.559   2.011  -0.147  1.00  0.00           H  
HETATM   24  H10 UNL     1       0.513  -0.163   1.828  1.00  0.00           H  
HETATM   25  H11 UNL     1       0.221  -2.281   0.579  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   15
CONECT    4   16
CONECT    5    6
CONECT    6    7   13   17
CONECT    7    8
CONECT    8    9   18   19
CONECT    9   10   11   20
CONECT   10   21
CONECT   11   12   13   22
CONECT   12   23
CONECT   13   14   24
CONECT   14   25
END
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SMILES for HMDB0012195 (beta-L-Arabinose 1-phosphate)

[H][C@]1(O)CO[C@]([H])(OP(O)(O)=O)[C@]([H])(O)[C@@]1([H])O
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INCHI for HMDB0012195 (beta-L-Arabinose 1-phosphate)

InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
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Synonyms
ValueSource
1-O-Phosphono-beta-L-arabinopyranoseChEBI
1-O-Phosphono-b-L-arabinopyranoseGenerator
1-O-Phosphono-β-L-arabinopyranoseGenerator
b-L-Arabinose 1-phosphateGenerator
b-L-Arabinose 1-phosphoric acidGenerator
beta-L-Arabinose 1-phosphoric acidGenerator
Β-L-arabinose 1-phosphateGenerator
Β-L-arabinose 1-phosphoric acidGenerator
beta-L-Arabinopyranose 1-(dihydrogen phosphate)HMDB
beta-L-Arabinose 1-PHMDB
beta-L-Arabinopyranose-1-phosphateHMDB
β-L-Arabinopyranose-1-phosphateHMDB
Chemical FormulaC5H11O8P
Average Molecular Weight230.1098
Monoisotopic Molecular Weight230.01915384
IUPAC Name{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}phosphonic acid
Traditional Nameβ-L-arabinose 1-phosphate
CAS Registry Number50574-25-9
SMILES
O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
InChI KeyILXHFXFPPZGENN-QMKXCQHVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentMonoalkyl phosphates
Alternative Parents
Substituents
  • Monoalkyl phosphate
  • Oxane
  • Monosaccharide
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028844
KNApSAcK IDNot Available
Chemspider ID389151
KEGG Compound IDC03906
BioCyc IDCPD-1825
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440160
PDB IDNot Available
ChEBI ID15807
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available