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CHEBI:186027 - PA(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:186027
ChEBI NamePA(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H71O8P
Net Charge0
Average Mass734.996
Monoisotopic Mass734.48866
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C42H71O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h10-13,16-19,21-22,25,27,40H,3-9,14-15,20,23-24,26,28-39H2,1-2H3,(H2,45,46,47)/b12-10-,13-11-,18-16-,19-17-,22-21-,27-25-/t40-/m1/s1
InChIKeyWGPJKQVKMKZAPU-ZDZAYSRMSA-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(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:186027) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP10010304LIPID MAPS
113379031ChemSpider