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CHEBI:187194 - PA(20:0/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:187194
ChEBI NamePA(20:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H81O8P
Net Charge0
Average Mass781.109
Monoisotopic Mass780.56691
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H81O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,43H,3-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-,24-22-,30-28-/t43-/m1/s1
InChIKeyYFVWSPJEYXISJN-ZGEKSSNVSA-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(20:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:187194) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-icosanoyloxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
74876827ChemSpider
LMGP10010525LIPID MAPS
HMDB0115085HMDB