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CHEBI:196731 - PA(12:0/21:0)

ChEBI IDCHEBI:196731
ChEBI NamePA(12:0/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H71O8P
Net Charge0
Average Mass662.930
Monoisotopic Mass662.48866
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C36H71O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,39,40,41)/t34-/m1/s1
InChIKeyOONYCSCEVCECOJ-UUWRZZSWSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(12:0/21:0) (CHEBI:196731) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] henicosanoate
Manual XrefsDatabases
113378853ChemSpider
LMGP10010062LIPID MAPS