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CHEBI:171998 - DG(18:1n7/0:0/20:2n6)

ChEBI IDCHEBI:171998
ChEBI NameDG(18:1n7/0:0/20:2n6)
Stars
Last Modified29 July 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74O5
Net Charge0
Average Mass647.038
Monoisotopic Mass646.55363
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,39,42H,3-10,12,15,18,20-38H2,1-2H3/b13-11-,16-14-,19-17-/t39-/m1/s1
InChIKeyISRVAZAIPIOCMF-CPLBAJMFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(18:1n7/0:0/20:2n6) (CHEBI:171998) is a 1,3-diacyl-sn-glycerol (CHEBI:77272)
IUPAC Name 
[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
HMDB0056185HMDB
74854540ChemSpider