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CHEBI:230057 - PA(13:0/20:3(8Z,11Z,14Z)-2OH(5,6))

ChEBI IDCHEBI:230057
ChEBI NamePA(13:0/20:3(8Z,11Z,14Z)-2OH(5,6))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65O10P
Net Charge0
Average Mass688.880
Monoisotopic Mass688.43153
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C36H65O10P/c1-3-5-7-9-11-13-15-16-17-19-21-23-26-33(37)34(38)27-25-29-36(40)46-32(31-45-47(41,42)43)30-44-35(39)28-24-22-20-18-14-12-10-8-6-4-2/h11,13,16-17,21,23,32-34,37-38H,3-10,12,14-15,18-20,22,24-31H2,1-2H3,(H2,41,42,43)/b13-11-,17-16-,23-21-/t32-,33?,34?/m1/s1
InChIKeyWUMKHYXYGNVXIB-YEDBERHGSA-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(13:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (CHEBI:230057) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tridecanoyloxypropan-2-yl] (8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoate
Manual XrefsDatabases
117218970ChemSpider
HMDB0262892HMDB