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CHEBI:230058 - PA(17:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

ChEBI IDCHEBI:230058
ChEBI NamePA(17:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71O10P
Net Charge0
Average Mass742.972
Monoisotopic Mass742.47849
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C40H71O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-26-32-39(43)48-34-38(35-49-51(45,46)47)50-40(44)33-27-31-37(42)30-25-22-21-24-29-36(41)28-23-19-10-8-6-4-2/h19,21-25,29-30,36-38,41-42H,3-18,20,26-28,31-35H2,1-2H3,(H2,45,46,47)/b22-21+,23-19-,29-24+,30-25-/t36-,37-,38+/m0/s1
InChIKeyXVEKFJDUKOTQPG-SDOWGJLVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(17:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (CHEBI:230058) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-heptadecanoyloxy-3-phosphonooxypropan-2-yl] (5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
Manual XrefsDatabases
117219479ChemSpider
HMDB0263509HMDB