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CHEBI:172789 - DG(20:0/0:0/18:2n6)

ChEBI IDCHEBI:172789
ChEBI NameDG(20:0/0:0/18:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H78O5
Net Charge0
Average Mass663.081
Monoisotopic Mass662.58493
SMILESCCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-40(43)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,20,22,40,43H,3-13,15,17-19,21,23-39H2,1-2H3/b16-14-,22-20-/t40-/m0/s1
InChIKeyGVOUGKVDENLIJG-HQHGWSDISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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(20:0/0:0/18:2n6) (CHEBI:172789) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropyl] icosanoate
Manual XrefsDatabases
HMDB0056073HMDB
74854435ChemSpider