EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178504 - DG(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:178504
ChEBI NameDG(18:4(6Z,9Z,12Z,15Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70O5
Net Charge0
Average Mass667.028
Monoisotopic Mass666.52233
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,27,29,41,44H,3-5,7,9-10,15-16,20,24-26,28,30-40H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,29-27-/t41-/m0/s1
InChIKeyNPJRPTRACDFCLD-GBHXGEPVSA-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)/22:3(10Z,13Z,16Z)/0:0)[iso2] (CHEBI:178504) 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] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
Manual XrefsDatabases
LMGL02010518LIPID MAPS