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CHEBI:186124 - PA(17:0/22:2(13Z,16Z))

ChEBI IDCHEBI:186124
ChEBI NamePA(17:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H79O8P
Net Charge0
Average Mass743.060
Monoisotopic Mass742.55126
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C42H79O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,40H,3-10,12,14-16,18,20-39H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-/t40-/m1/s1
InChIKeyCUVIYXNFRVWTBC-YIHXYWFXSA-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(17:0/22:2(13Z,16Z)) (CHEBI:186124) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-heptadecanoyloxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP10010244LIPID MAPS
113378971ChemSpider