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CHEBI:231212 - DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)

ChEBI IDCHEBI:231212
ChEBI NameDG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O8
Net Charge0
Average Mass550.733
Monoisotopic Mass550.35057
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)CCCCCCC
InChIInChI=1S/C31H50O8/c1-3-5-7-10-16-22-30(36)38-25-27(24-32)39-31(37)23-17-21-29(35)28(34)20-15-12-9-8-11-14-19-26(33)18-13-6-4-2/h6,8-9,11-15,19-20,26-29,32-35H,3-5,7,10,16-18,21-25H2,1-2H3/b11-8+,12-9-,13-6-,19-14+,20-15-/t26-,27-,28+,29+/m0/s1
InChIKeyREIHIDHUAPJLKE-SIJPLHDOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (CHEBI:231212) is a icosanoid (CHEBI:23899)
IUPAC Name 
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual XrefsDatabases
117216406ChemSpider
HMDB0297203HMDB