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CHEBI:230332 - MG(18:1(12Z)-2OH(9,10)/0:0/0:0)

ChEBI IDCHEBI:230332
ChEBI NameMG(18:1(12Z)-2OH(9,10)/0:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O6
Net Charge0
Average Mass388.545
Monoisotopic Mass388.28249
SMILESCCCCC/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)OC[C@@H](O)CO
InChIInChI=1S/C21H40O6/c1-2-3-4-5-7-10-13-19(24)20(25)14-11-8-6-9-12-15-21(26)27-17-18(23)16-22/h7,10,18-20,22-25H,2-6,8-9,11-17H2,1H3/b10-7-/t18-,19+,20+/m0/s1
InChIKeyRLKGCXCVPAYULW-QTZWXKQRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
MG(18:1(12Z)-2OH(9,10)/0:0/0:0) (CHEBI:230332) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(2S)-2,3-dihydroxypropyl] (Z,9R,10R)-9,10-dihydroxyoctadec-12-enoate
Manual XrefsDatabases
HMDB0260490HMDB
117217005ChemSpider