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CHEBI:230715 - PA(18:2(9Z,12Z)/5-iso PGF2VI)

ChEBI IDCHEBI:230715
ChEBI NamePA(18:2(9Z,12Z)/5-iso PGF2VI)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H67O11P
Net Charge0
Average Mass742.928
Monoisotopic Mass742.44210
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C/C=C\C[C@H]1[C@@H](/C=C/[C@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C39H67O11P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-38(43)48-30-33(31-49-51(45,46)47)50-39(44)26-22-21-24-34-35(37(42)29-36(34)41)28-27-32(40)23-19-6-4-2/h9-10,12-13,21-22,27-28,32-37,40-42H,3-8,11,14-20,23-26,29-31H2,1-2H3,(H2,45,46,47)/b10-9-,13-12-,22-21-,28-27+/t32-,33-,34+,35-,36+,37-/m1/s1
InChIKeyAHLUQPGWMWPYQL-GZRWYLRJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(18:2(9Z,12Z)/5-iso PGF2VI) (CHEBI:230715) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]oxy-3-phosphonooxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0264037HMDB
128426638ChemSpider