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CHEBI:186709 - PA(O-18:0/22:2(13Z,16Z))

ChEBI IDCHEBI:186709
ChEBI NamePA(O-18:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H83O7P
Net Charge0
Average Mass743.104
Monoisotopic Mass742.58764
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C43H83O7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(44)50-42(41-49-51(45,46)47)40-48-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,42H,3-10,12,14-16,18,20-41H2,1-2H3,(H2,45,46,47)/b13-11-,19-17-/t42-/m1/s1
InChIKeyRZQXPTWDEMDRAH-GZHHDXNOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PA(O-18:0/22:2(13Z,16Z)) (CHEBI:186709) is a ether lipid (CHEBI:64611)
PA(O-18:0/22:2(13Z,16Z)) (CHEBI:186709) is a monoacylglycerol phosphate (CHEBI:16961)
IUPAC Name 
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP10020040LIPID MAPS
113379353ChemSpider