EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230398 - DG(15:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)

ChEBI IDCHEBI:230398
ChEBI NameDG(15:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H64O8
Net Charge0
Average Mass648.922
Monoisotopic Mass648.46012
SMILESCC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@H](O)CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C38H64O8/c1-3-5-7-8-9-10-11-12-13-14-19-23-29-37(43)45-32-34(31-39)46-38(44)30-24-28-36(42)35(41)27-22-18-16-15-17-21-26-33(40)25-20-6-4-2/h6,15-18,20-22,26-27,33-36,39-42H,3-5,7-14,19,23-25,28-32H2,1-2H3/b17-15+,18-16-,20-6-,26-21+,27-22-/t33-,34-,35+,36+/m0/s1
InChIKeyWPIMNCQFVXZGPM-KGBXPJSASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(15:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (CHEBI:230398) is a icosanoid (CHEBI:23899)
IUPAC Name 
[(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual XrefsDatabases
HMDB0295331HMDB
117214534ChemSpider