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CHEBI:187623 - DG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]

ChEBI IDCHEBI:187623
ChEBI NameDG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62O5
Net Charge0
Average Mass598.909
Monoisotopic Mass598.45973
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCC
InChIInChI=1S/C38H62O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,20-21,25,27,36,39H,3-4,6,8-10,15-16,19,22-24,26,28-35H2,1-2H3/b7-5-,13-11-,14-12-,18-17-,21-20-,27-25-/t36-/m0/s1
InChIKeyMJZAXZJJCOFSJQ-QYDQUYFFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
DG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] (CHEBI:187623) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
113371387ChemSpider
LMGL02010465LIPID MAPS