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CHEBI:230924 - PA(20:3(6,8,11)-OH(5)/14:0)

Default Structure
ChEBI IDCHEBI:230924
ChEBI NamePA(20:3(6,8,11)-OH(5)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67O9P
Net Charge0
Average Mass686.908
Monoisotopic Mass686.45227
SMILESCCCCCCCC/C=C/C/C=C/C=C/C(O)CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C37H67O9P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-28-34(38)29-27-31-36(39)44-32-35(33-45-47(41,42)43)46-37(40)30-26-24-22-20-17-14-12-10-8-6-4-2/h16,18,21,23,25,28,34-35,38H,3-15,17,19-20,22,24,26-27,29-33H2,1-2H3,(H2,41,42,43)/b18-16+,23-21+,28-25+/t34?,35-/m1/s1
InChIKeyRSSJICABYFWFFS-NERPGPQUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(20:3(6,8,11)-OH(5)/14:0) (CHEBI:230924) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
Manual XrefsDatabases
117219105ChemSpider
HMDB0263053HMDB