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CHEBI:231192 - DG(12:0/18:1(12Z)-O(9S,10R)/0:0)

ChEBI IDCHEBI:231192
ChEBI NameDG(12:0/18:1(12Z)-O(9S,10R)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H60O6
Net Charge0
Average Mass552.837
Monoisotopic Mass552.43899
SMILESCCCCC/C=C\CC1OC1CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC
InChIInChI=1S/C33H60O6/c1-3-5-7-9-11-12-13-17-21-25-32(35)37-28-29(27-34)38-33(36)26-22-18-14-16-20-24-31-30(39-31)23-19-15-10-8-6-4-2/h15,19,29-31,34H,3-14,16-18,20-28H2,1-2H3/b19-15-/t29-,30?,31?/m0/s1
InChIKeyLITIJTZLGLUHRG-FVGXFSABSA-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(12:0/18:1(12Z)-O(9S,10R)/0:0) (CHEBI:231192) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-[8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoyloxy]propyl] dodecanoate
Manual XrefsDatabases
117213928ChemSpider
HMDB0294725HMDB