EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196693 - DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)

ChEBI IDCHEBI:196693
ChEBI NameDG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O5
Net Charge0
Average Mass638.974
Monoisotopic Mass638.49103
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27,39,42H,3-5,7,9-10,15-16,20,23,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-/m0/s1
InChIKeyRRMWQDBJZKKUGJ-HZNABPJSSA-N
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(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0) (CHEBI:196693) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
HMDB0007343HMDB
LMGL02010511LIPID MAPS
24766080ChemSpider