EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178361 - DG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]

ChEBI IDCHEBI:178361
ChEBI NameDG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66O5
Net Charge0
Average Mass626.963
Monoisotopic Mass626.49103
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCC
InChIInChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h5,7,11,13,16-19,21,23,27,29,38,41H,3-4,6,8-10,12,14-15,20,22,24-26,28,30-37H2,1-2H3/b7-5-,13-11-,18-16-,19-17-,23-21-,29-27-/t38-/m0/s1
InChIKeyWERRGPMLQNSZCP-SAHBJWHFSA-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(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] (CHEBI:178361) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-[(Z)-heptadec-9-enoyl]oxy-3-hydroxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
7822719ChemSpider
LMGL02010103LIPID MAPS