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CHEBI:230963 - PA(22:0/20:4(6E,8Z,11Z,14Z)-OH(5S))

ChEBI IDCHEBI:230963
ChEBI NamePA(22:0/20:4(6E,8Z,11Z,14Z)-OH(5S))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H81O9P
Net Charge0
Average Mass797.108
Monoisotopic Mass796.56182
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H81O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38-44(47)52-40-43(41-53-55(49,50)51)54-45(48)39-35-37-42(46)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h12,14,23,25,29,31,33,36,42-43,46H,3-11,13,15-22,24,26-28,30,32,34-35,37-41H2,1-2H3,(H2,49,50,51)/b14-12-,25-23-,31-29-,36-33+/t42-,43+/m0/s1
InChIKeyGFIOGYBMXUNXEM-GBCZDUDBSA-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(22:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) (CHEBI:230963) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoyl]oxy-3-phosphonooxypropyl] docosanoate
Manual XrefsDatabases
117221176ChemSpider
HMDB0265556HMDB