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CHEBI:178496 - PA(13:0/22:1(11Z))

ChEBI IDCHEBI:178496
ChEBI NamePA(13:0/22:1(11Z))
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FormulaC38H73O8P
Net Charge0
Average Mass688.968
Monoisotopic Mass688.50431
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C38H73O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(40)46-36(35-45-47(41,42)43)34-44-37(39)32-30-28-26-24-14-12-10-8-6-4-2/h18-19,36H,3-17,20-35H2,1-2H3,(H2,41,42,43)/b19-18-/t36-/m1/s1
InChIKeyMPSAMXLBSXALAV-UAIAYBLDSA-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(13:0/22:1(11Z)) (CHEBI:178496) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010087LIPID MAPS