MiMeDB: Showing metabocard for DG(19:iso/10:0(3-OH)/0:0) (MMDBc0032745)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 02:29:11 UTC

Update Date

2022-08-31 18:50:49 UTC

Metabolite ID

MMDBc0032745

Metabolite Identification

Common Name

DG(19:iso/10:0(3-OH)/0:0)

Description

DG(19:iso/10:0(3-OH)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(19:iso/10:0(3-OH)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.

Structure

MOL SDF PDB SMILES InChI


  Mrv1572009081522122D          

 38 37  0  0  0  0            999 V2000
   28.7565   10.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0421   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0421   11.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3276   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6131   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8987   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1842   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4697   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7552   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0408   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3263   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6118   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8974   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1829   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4684   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7539   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0395   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3250   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6105   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8961   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6105   11.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4710   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1855   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1855    9.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8999    8.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8999   10.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6144   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6144    9.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3289   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0434   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0434    9.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7578   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4723   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1868   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9012   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6157   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3302   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0447   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END


  Mrv1572009081522122D          

 38 37  0  0  0  0            999 V2000
   28.7565   10.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0421   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0421   11.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3276   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6131   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8987   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1842   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4697   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7552   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0408   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3263   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6118   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8974   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1829   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4684   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7539   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0395   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3250   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6105   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8961   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6105   11.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4710   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1855   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1855    9.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8999    8.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8999   10.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6144   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6144    9.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3289   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0434   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0434    9.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7578   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4723   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1868   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9012   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6157   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3302   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0447   10.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032745

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCC(O)CC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C32H62O6/c1-4-5-6-16-20-23-29(34)25-32(36)38-30(26-33)27-37-31(35)24-21-18-15-13-11-9-7-8-10-12-14-17-19-22-28(2)3/h28-30,33-34H,4-27H2,1-3H3

> <INCHI_KEY>
MTBHPRPACUWIHF-UHFFFAOYSA-N

> <FORMULA>
C32H62O6

> <MOLECULAR_WEIGHT>
542.842

> <EXACT_MASS>
542.454639716

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
70.13011264582101

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-hydroxy-2-[(3-hydroxydecanoyl)oxy]propyl 17-methyloctadecanoate

> <ALOGPS_LOGP>
8.39

> <JCHEM_LOGP>
9.281027151333337

> <ALOGPS_LOGS>
-6.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.139399659416835

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.438478874199802

> <JCHEM_PKA_STRONGEST_BASIC>
-2.798759055191913

> <JCHEM_POLAR_SURFACE_AREA>
93.06000000000002

> <JCHEM_REFRACTIVITY>
155.35899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.20e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-2-[(3-hydroxydecanoyl)oxy]propyl 17-methyloctadecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-15         0                                  
HETATM    1  O   UNK     0      53.679  18.672   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      52.345  19.442   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      52.345  20.982   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      51.012  18.672   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      49.678  19.442   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      48.344  18.672   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      47.010  19.442   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      45.677  18.672   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      44.343  19.442   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      43.009  18.672   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      41.676  19.442   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      40.342  18.672   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      39.008  19.442   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      37.675  18.672   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      36.341  19.442   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      35.007  18.672   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      33.674  19.442   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      32.340  18.672   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      31.006  19.442   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      29.673  18.672   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      31.006  20.982   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      55.013  19.442   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      56.346  18.672   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      56.346  17.132   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      57.680  16.362   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      57.680  19.442   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      59.014  18.672   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      59.014  17.132   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      60.347  19.442   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      61.681  18.672   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      61.681  17.132   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      63.015  19.442   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      64.348  18.672   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      65.682  19.442   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      67.016  18.672   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      68.349  19.442   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      69.683  18.672   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      71.017  19.442   0.000  0.00  0.00           C+0
CONECT    1    2   22                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    1   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   74    0
END

Synonyms

Not Available

Molecular Formula

C₃₂H₆₂O₆

Average Mass

542.842

Monoisotopic Mass

542.454639716

IUPAC Name

3-hydroxy-2-[(3-hydroxydecanoyl)oxy]propyl 17-methyloctadecanoate

Traditional Name

3-hydroxy-2-[(3-hydroxydecanoyl)oxy]propyl 17-methyloctadecanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCC(O)CC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCC(C)C

InChI Identifier

InChI=1S/C32H62O6/c1-4-5-6-16-20-23-29(34)25-32(36)38-30(26-33)27-37-31(35)24-21-18-15-13-11-9-7-8-10-12-14-17-19-22-28(2)3/h28-30,33-34H,4-27H2,1-3H3

InChI Key

MTBHPRPACUWIHF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Diradylglycerols

Direct Parent

1,2-diacylglycerols

Alternative Parents

Substituents

1,2-acyl-sn-glycerol
Fatty alcohol
Fatty acid ester
Beta-hydroxy acid
Fatty acyl
Hydroxy acid
Dicarboxylic acid or derivatives
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00012 g/L	ALOGPS
logP	8.39	ALOGPS
logP	9.28	ChemAxon
logS	-6.7	ALOGPS
pKa (Strongest Acidic)	14.44	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	30	ChemAxon
Refractivity	155.36 m³·mol⁻¹	ChemAxon
Polarizability	70.13 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-05dl-1685090000-d42b03fa3c04af561e08	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0kl0-6693020000-f7b1e969175427b85182	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0kcl-9361000000-5fda48e1df6dd5cf1ae9	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002e-0393030000-b3fb5e440d51f5268245	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-002b-1290000000-f642a04c4f2b953a5659	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-002n-5790000000-6ce9748497bc262743e0	2015-09-15	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0039595	DG(19:iso/10:0(3-OH)/0:0)	(R)-3-Hydroxydecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Yurtsever D. (2007). Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A. M.sc. Thesis. Villanova University: U.S.A.

Showing metabocard for DG(19:iso/10:0(3-OH)/0:0) (MMDBc0032745)

MOL for #<Metabolite:0x00007fa508d13490>

3D MOL for #<Metabolite:0x00007fa508d13490>

3D SDF for #<Metabolite:0x00007fa508d13490>

3D-SDF for #<Metabolite:0x00007fa508d13490>

PDB for #<Metabolite:0x00007fa508d13490>

3D PDB for #<Metabolite:0x00007fa508d13490>

SMILES for #<Metabolite:0x00007fa508d13490>

INCHI for #<Metabolite:0x00007fa508d13490>

Structure for #<Metabolite:0x00007fa508d13490>

3D Structure for #<Metabolite:0x00007fa508d13490>