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CHEBI:185780 - PA(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:185780
ChEBI NamePA(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H79O8P
Net Charge0
Average Mass803.115
Monoisotopic Mass802.55126
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C47H79O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,23-24,26,30,32,36,38,45H,3-5,7,9-11,13,15-17,19,22,25,27-29,31,33-35,37,39-44H2,1-2H3,(H2,50,51,52)/b8-6-,14-12-,20-18-,23-21-,26-24-,32-30-,38-36-/t45-/m1/s1
InChIKeyXRGNYSJCNUTXNP-CPHXDODASA-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(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:185780) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phosphonooxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010754LIPID MAPS
113379252ChemSpider