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CHEBI:231035 - DG(8:0/18:1(12Z)-2OH(9,10)/0:0)

ChEBI IDCHEBI:231035
ChEBI NameDG(8:0/18:1(12Z)-2OH(9,10)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H54O7
Net Charge0
Average Mass514.744
Monoisotopic Mass514.38695
SMILESCCCCC/C=C\C[C@H](O)[C@@H](O)CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC
InChIInChI=1S/C29H54O7/c1-3-5-7-9-12-15-19-26(31)27(32)20-16-13-10-14-18-22-29(34)36-25(23-30)24-35-28(33)21-17-11-8-6-4-2/h12,15,25-27,30-32H,3-11,13-14,16-24H2,1-2H3/b15-12-/t25-,26-,27-/m0/s1
InChIKeyVVIFSARANRPVQE-PTUZYTQWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(8:0/18:1(12Z)-2OH(9,10)/0:0) (CHEBI:231035) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] (Z,9S,10S)-9,10-dihydroxyoctadec-12-enoate
Manual XrefsDatabases
117216374ChemSpider
HMDB0297171HMDB