EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171999 - DG(18:1n9/0:0/20:2n6)

ChEBI IDCHEBI:171999
ChEBI NameDG(18:1n9/0:0/20:2n6)
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)CCCCCCC/C=C\CCCCCCCC
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/h11,13,17-19,21,39,42H,3-10,12,14-16,20,22-38H2,1-2H3/b13-11-,19-17-,21-18-/t39-/m1/s1
InChIKeyBERVIYPIHGBWSN-DBHIXKHWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
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(18:1n9/0:0/20:2n6) (CHEBI:171999) is a 1,3-diacyl-sn-glycerol (CHEBI:77272)
IUPAC Name 
[(2S)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
74854557ChemSpider
HMDB0056204HMDB