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CHEBI:231144 - DG(2:0/18:1(12Z)-2OH(9,10)/0:0)

Default Structure
ChEBI IDCHEBI:231144
ChEBI NameDG(2:0/18:1(12Z)-2OH(9,10)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H42O7
Net Charge0
Average Mass430.582
Monoisotopic Mass430.29305
SMILESCCCCC/C=C\C[C@H](O)[C@@H](O)CCCCCCCC(=O)O[C@@H](CO)COC(C)=O
InChIInChI=1S/C23H42O7/c1-3-4-5-6-8-11-14-21(26)22(27)15-12-9-7-10-13-16-23(28)30-20(17-24)18-29-19(2)25/h8,11,20-22,24,26-27H,3-7,9-10,12-18H2,1-2H3/b11-8-/t20-,21-,22-/m0/s1
InChIKeyFNVGXHMDBZXTGY-XSHBVEAHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(2:0/18:1(12Z)-2OH(9,10)/0:0) (CHEBI:231144) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (Z,9S,10S)-9,10-dihydroxyoctadec-12-enoate
Manual XrefsDatabases
117216166ChemSpider
HMDB0296963HMDB