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CHEBI:230286 - PA(24:0/20:3(6,8,11)-OH(5))

ChEBI IDCHEBI:230286
ChEBI NamePA(24:0/20:3(6,8,11)-OH(5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H87O9P
Net Charge0
Average Mass827.178
Monoisotopic Mass826.60877
SMILESCCCCCCCC/C=C/C/C=C/C=C/C(O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C47H87O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40-46(49)54-42-45(43-55-57(51,52)53)56-47(50)41-37-39-44(48)38-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,31,33,35,38,44-45,48H,3-24,26,28-30,32,34,36-37,39-43H2,1-2H3,(H2,51,52,53)/b27-25+,33-31+,38-35+/t44?,45-/m1/s1
InChIKeyFHXHPPYUTBLSCB-ZULOFLETSA-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(24:0/20:3(6,8,11)-OH(5)) (CHEBI:230286) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy-3-phosphonooxypropyl] tetracosanoate
Manual XrefsDatabases
HMDB0266375HMDB
117221851ChemSpider