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CHEBI:186418 - PA(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:186418
ChEBI NamePA(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75O8P
Net Charge0
Average Mass763.050
Monoisotopic Mass762.51996
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)CCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C44H75O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,33,35,42H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-32,34,36-41H2,1-2H3,(H2,47,48,49)/b7-5-,13-11-,19-17-,23-22-,29-27-,35-33-/t42-/m1/s1
InChIKeyCXTDICFQNIKKQM-TVGDCICTSA-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(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:186418) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-nonadecanoyloxy-3-phosphonooxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
LMGP10010477LIPID MAPS
113379111ChemSpider