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CHEBI:231006 - DG(19:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)

ChEBI IDCHEBI:231006
ChEBI NameDG(19:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72O8
Net Charge0
Average Mass705.030
Monoisotopic Mass704.52272
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)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H72O8/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-33-41(47)49-36-38(35-43)50-42(48)34-28-32-40(46)39(45)31-26-22-20-19-21-25-30-37(44)29-24-6-4-2/h6,19-22,24-26,30-31,37-40,43-46H,3-5,7-18,23,27-29,32-36H2,1-2H3/b21-19+,22-20-,24-6-,30-25+,31-26-/t37-,38-,39+,40+/m0/s1
InChIKeyHQFLBHADZBHHLB-JUEAFGQPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(19:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (CHEBI:231006) is a icosanoid (CHEBI:23899)
IUPAC Name 
[(2S)-1-hydroxy-3-nonadecanoyloxypropan-2-yl] (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual XrefsDatabases
HMDB0296163HMDB
117215366ChemSpider