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CHEBI:186894 - PA(22:2(13Z,16Z)/18:0)

ChEBI IDCHEBI:186894
ChEBI NamePA(22:2(13Z,16Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81O8P
Net Charge0
Average Mass757.087
Monoisotopic Mass756.56691
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H81O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41H,3-10,12,14-16,18,20-40H2,1-2H3,(H2,46,47,48)/b13-11-,19-17-/t41-/m1/s1
InChIKeyCJJKZZHVEPXAAM-JMMITYAOSA-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(22:2(13Z,16Z)/18:0) (CHEBI:186894) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP10010766LIPID MAPS
74877041ChemSpider
HMDB0115301HMDB