EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172001 - DG(18:1n7/0:0/18:2n6)

ChEBI IDCHEBI:172001
ChEBI NameDG(18:1n7/0:0/18:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H72O5
Net Charge0
Average Mass633.011
Monoisotopic Mass632.53798
SMILESCCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,19,21,38,41H,3-12,17-18,20,22-37H2,1-2H3/b15-13-,16-14-,21-19-/t38-/m1/s1
InChIKeyTVWCABBUEUOUGO-CXCAYHQSSA-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(18:1n7/0:0/18:2n6) (CHEBI:172001) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (9Z,12Z)-nonadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0056183HMDB
74854538ChemSpider