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CHEBI:196842 - PA(22:0/19:1(9Z))

ChEBI IDCHEBI:196842
ChEBI NamePA(22:0/19:1(9Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H85O8P
Net Charge0
Average Mass773.130
Monoisotopic Mass772.59821
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-43(45)50-40-42(41-51-53(47,48)49)52-44(46)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h20,24,42H,3-19,21-23,25-41H2,1-2H3,(H2,47,48,49)/b24-20-/t42-/m1/s1
InChIKeyLLKCIINSXVBRON-MLIYJITJSA-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(22:0/19:1(9Z)) (CHEBI:196842) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropyl] docosanoate
Manual XrefsDatabases
LMGP10010714LIPID MAPS
113379220ChemSpider