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CHEBI:231045 - DG(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)

ChEBI IDCHEBI:231045
ChEBI NameDG(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O8
Net Charge0
Average Mass620.868
Monoisotopic Mass620.42882
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)CCCCCCCCCCCC
InChIInChI=1S/C36H60O8/c1-3-5-7-8-9-10-11-12-17-21-27-35(41)43-30-32(29-37)44-36(42)28-22-26-34(40)33(39)25-20-16-14-13-15-19-24-31(38)23-18-6-4-2/h6,13-16,18-20,24-25,31-34,37-40H,3-5,7-12,17,21-23,26-30H2,1-2H3/b15-13+,16-14-,18-6-,24-19+,25-20-/t31-,32-,33+,34+/m0/s1
InChIKeyVATCWZKGMKXQFN-WUNIAKKASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) (CHEBI:231045) is a icosanoid (CHEBI:23899)
IUPAC Name 
[(2S)-1-hydroxy-3-tridecanoyloxypropan-2-yl] (5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
Manual XrefsDatabases
117214164ChemSpider
HMDB0294961HMDB