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CHEBI:185699 - DG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]

ChEBI IDCHEBI:185699
ChEBI NameDG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H68O5
Net Charge0
Average Mass665.012
Monoisotopic Mass664.50668
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,41,44H,3-4,9-10,15-16,20,24-25,27,29-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-/m0/s1
InChIKeyWAENXTSOONTGEU-MMULMDALSA-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(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] (CHEBI:185699) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Manual XrefsDatabases
HMDB0007323HMDB
LMGL02010233LIPID MAPS
7822848ChemSpider