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CHEBI:230765 - PA(13:0/PGF2alpha)

ChEBI IDCHEBI:230765
ChEBI NamePA(13:0/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65O11P
Net Charge0
Average Mass704.879
Monoisotopic Mass704.42645
SMILESCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C36H65O11P/c1-3-5-7-8-9-10-11-12-13-18-22-35(40)45-27-30(28-46-48(42,43)44)47-36(41)23-19-15-14-17-21-31-32(34(39)26-33(31)38)25-24-29(37)20-16-6-4-2/h14,17,24-25,29-34,37-39H,3-13,15-16,18-23,26-28H2,1-2H3,(H2,42,43,44)/b17-14+,25-24+/t29-,30+,31+,32+,33-,34+/m0/s1
InChIKeyKMSORYPCXSFFQB-YENUPOCKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(13:0/PGF2alpha) (CHEBI:230765) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-phosphonooxypropyl] tridecanoate
Manual XrefsDatabases
128426436ChemSpider
HMDB0262880HMDB