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CHEBI:186408 - PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)

ChEBI IDCHEBI:186408
ChEBI NamePA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H79O8P
Net Charge0
Average Mass791.104
Monoisotopic Mass790.55126
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H79O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-45(47)52-42-44(43-53-55(49,50)51)54-46(48)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,28,30,34,36,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-27,29,31-33,35,37-43H2,1-2H3,(H2,49,50,51)/b7-5-,13-11-,19-17-,25-23-,30-28-,36-34-/t44-/m1/s1
InChIKeyHIFCMSUSRKERGZ-QPDRNLTCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0) (CHEBI:186408) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-henicosanoyloxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
LMGP10010840LIPID MAPS
113379281ChemSpider