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CHEBI:185356 - PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))

ChEBI IDCHEBI:185356
ChEBI NamePA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H69O8P
Net Charge0
Average Mass732.980
Monoisotopic Mass732.47301
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChIInChI=1S/C42H69O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,16-19,21-22,25-26,30,32,40H,3-4,6,8-10,12,14-15,20,23-24,27-29,31,33-39H2,1-2H3,(H2,45,46,47)/b7-5-,13-11-,18-16-,19-17-,22-21-,26-25-,32-30-/t40-/m1/s1
InChIKeyFHOZNIJQJWKOPH-VFQZEPBMSA-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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z)) (CHEBI:185356) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
113379277ChemSpider
LMGP10010824LIPID MAPS