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CHEBI:190092 - [(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxy-propyl] 12-methoxydodecanoate

ChEBI IDCHEBI:190092
ChEBI Name[(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxy-propyl] 12-methoxydodecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H57O10P
Net Charge0
Average Mass596.739
Monoisotopic Mass596.36893
SMILESCOCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCOC
InChIInChI=1S/C29H57O10P/c1-35-23-19-15-11-7-3-5-9-13-17-21-28(30)37-25-27(26-38-40(32,33)34)39-29(31)22-18-14-10-6-4-8-12-16-20-24-36-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m0/s1
InChIKeyCONGBQWZYAQGJB-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
[(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxy-propyl] 12-methoxydodecanoate (CHEBI:190092) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2S)-2-(12-methoxydodecanoyloxy)-3-phosphonooxypropyl] 12-methoxydodecanoate
Manual XrefsDatabases
400387ChemSpider