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CHEBI:179008 - PA(16:1(9Z)/21:0)

ChEBI IDCHEBI:179008
ChEBI NamePA(16:1(9Z)/21:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H77O8P
Net Charge0
Average Mass717.022
Monoisotopic Mass716.53561
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H77O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16,38H,3-13,15,17-37H2,1-2H3,(H2,43,44,45)/b16-14-/t38-/m1/s1
InChIKeyTUKPWQYZDRMYAS-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(16:1(9Z)/21:0) (CHEBI:179008) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP10010219LIPID MAPS