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CHEBI:179014 - PA(21:0/16:1(9Z))

ChEBI IDCHEBI:179014
ChEBI NamePA(21:0/16:1(9Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H77O8P
Net Charge0
Average Mass717.022
Monoisotopic Mass716.53561
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C40H77O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h14,16,38H,3-13,15,17-37H2,1-2H3,(H2,43,44,45)/b16-14-/t38-/m1/s1
InChIKeyZIWHSJPRDCIEBG-GFPLNVHWSA-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(21:0/16:1(9Z)) (CHEBI:179014) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] henicosanoate
Manual XrefsDatabases
LMGP10010680LIPID MAPS