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CHEBI:230435 - DG(8:0/18:1(12Z)-O(9S,10R)/0:0)

Default Structure
ChEBI IDCHEBI:230435
ChEBI NameDG(8:0/18:1(12Z)-O(9S,10R)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H52O6
Net Charge0
Average Mass496.729
Monoisotopic Mass496.37639
SMILESCCCCC/C=C\CC1OC1CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC
InChIInChI=1S/C29H52O6/c1-3-5-7-9-12-15-19-26-27(35-26)20-16-13-10-14-18-22-29(32)34-25(23-30)24-33-28(31)21-17-11-8-6-4-2/h12,15,25-27,30H,3-11,13-14,16-24H2,1-2H3/b15-12-/t25-,26?,27?/m0/s1
InChIKeySUPCGUICHYILCS-ZIMUHACTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(8:0/18:1(12Z)-O(9S,10R)/0:0) (CHEBI:230435) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoate
Manual XrefsDatabases
117216378ChemSpider
HMDB0297175HMDB