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CHEBI:230743 - PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/14:0)

ChEBI IDCHEBI:230743
ChEBI NamePA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H65O10P
Net Charge0
Average Mass724.913
Monoisotopic Mass724.43153
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)/C=C\CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C39H65O10P/c1-3-5-7-8-9-10-11-12-16-19-25-32-39(43)49-37(34-48-50(44,45)46)33-47-38(42)31-26-20-24-30-36(41)29-23-18-15-13-14-17-22-28-35(40)27-21-6-4-2/h6,14-15,17-18,21-24,28-30,35-37,40-41H,3-5,7-13,16,19-20,25-27,31-34H2,1-2H3,(H2,44,45,46)/b17-14-,18-15-,21-6-,28-22+,29-23+,30-24-/t35-,36-,37-/m1/s1
InChIKeyWMKZMHLGAPYEKY-XPLDJBMGSA-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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/14:0) (CHEBI:230743) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoate
Manual XrefsDatabases
117219081ChemSpider
HMDB0263023HMDB