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CHEBI:196843 - PA(21:0/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:196843
ChEBI NamePA(21:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H83O8P
Net Charge0
Average Mass795.136
Monoisotopic Mass794.58256
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C46H83O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)54-44(43-53-55(49,50)51)42-52-45(47)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,44H,3-10,12,14-16,18,20-22,24,26-28,30,32-43H2,1-2H3,(H2,49,50,51)/b13-11-,19-17-,25-23-,31-29-/t44-/m1/s1
InChIKeyAUBBTFZUOFBNBB-SYFCMTJLSA-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(21:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:196843) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-henicosanoyloxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
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