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CHEBI:230153 - DG(15:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S))

ChEBI IDCHEBI:230153
ChEBI NameDG(15:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H66O6
Net Charge0
Average Mass618.940
Monoisotopic Mass618.48594
SMILESCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CC1OC1CCCCC
InChIInChI=1S/C38H66O6/c1-3-5-7-8-9-10-11-12-16-19-22-26-30-37(40)42-32-34(39)33-43-38(41)31-27-23-20-17-14-13-15-18-21-25-29-36-35(44-36)28-24-6-4-2/h13,15,17,20-21,25,34-36,39H,3-12,14,16,18-19,22-24,26-33H2,1-2H3/b15-13-,20-17-,25-21-/t34-,35?,36?/m1/s1
InChIKeyQZRFNZSUPCFJCE-PSMWKCNTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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(15:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (CHEBI:230153) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoyl]oxypropyl] pentadecanoate
Manual XrefsDatabases
HMDB0295185HMDB
117214388ChemSpider