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CHEBI:230439 - DG(18:1(12Z)-2OH(9,10)/8:0/0:0)

Default Structure
ChEBI IDCHEBI:230439
ChEBI NameDG(18:1(12Z)-2OH(9,10)/8:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H54O7
Net Charge0
Average Mass514.744
Monoisotopic Mass514.38695
SMILESCCCCC/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
InChIInChI=1S/C29H54O7/c1-3-5-7-9-12-15-19-26(31)27(32)20-16-13-10-14-17-21-28(33)35-24-25(23-30)36-29(34)22-18-11-8-6-4-2/h12,15,25-27,30-32H,3-11,13-14,16-24H2,1-2H3/b15-12-/t25-,26+,27+/m0/s1
InChIKeyAOYNNGNUOUREEI-VMIUKDSPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(18:1(12Z)-2OH(9,10)/8:0/0:0) (CHEBI:230439) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2S)-3-hydroxy-2-octanoyloxypropyl] (Z,9R,10R)-9,10-dihydroxyoctadec-12-enoate
Manual XrefsDatabases
117216375ChemSpider
HMDB0297172HMDB