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CHEBI:79072 - 15-ketoprostaglandin F1α(1−)

ChEBI IDCHEBI:79072
ChEBI Name15-ketoprostaglandin F1α(1−)
Stars
ASCII Name15-ketoprostaglandin F1alpha(1-)
DefinitionA prostaglandin carboxylic acid anion that is the conjugate base of 15-ketoprostaglandin F1α, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified14 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H33O5
Net Charge-1
Average Mass353.479
Monoisotopic Mass353.23335
SMILESCCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-19,22-23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,18+,19-/m1/s1
InChIKeyQPXXPLNAYDQELM-QNXXGYPUSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
15-ketoprostaglandin F1α(1−) (CHEBI:79072) has role human metabolite (CHEBI:77746)
15-ketoprostaglandin F1α(1−) (CHEBI:79072) is a prostaglandin carboxylic acid anion (CHEBI:59326)
15-ketoprostaglandin F1α(1−) (CHEBI:79072) is conjugate base of 15-ketoprostaglandin F1α (CHEBI:72593)
Incoming Relation(s)
15-ketoprostaglandin F1α (CHEBI:72593) is conjugate acid of 15-ketoprostaglandin F1α(1−) (CHEBI:79072)
IUPAC Name 
(9α,11α,13E)-9,11-dihydroxy-15-oxoprost-13-en-1-oate
UniProt Name  Source
15-oxoprostaglandin F1αUniProt