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

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ChEBI Name DG(8:0/18:1(12Z)-O(9S,10R)/0:0)
ChEBI ID CHEBI:230435
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H52O6
Net Charge 0
Average Mass 496.729
Monoisotopic Mass 496.37639
InChI InChI=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
InChIKey SUPCGUICHYILCS-ZIMUHACTSA-N
SMILES O1C(C1C/C=C\CCCCC)CCCCCCCC(O[C@H](COC(=O)CCCCCCC)CO)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
117216378 ChemSpider
HMDB0297175 HMDB
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