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CHEBI:72593 - 15-ketoprostaglandin F1α

ChEBI IDCHEBI:72593
ChEBI Name15-ketoprostaglandin F1α
Stars
ASCII Name15-ketoprostaglandin F1alpha
DefinitionA prostaglandin Fα that is prostaglandin F1α bearing a keto substituent at the 15-position. It is the initial metabolite of prostaglandin F1α via 15-hydroxyprostaglandin dehydrogenase.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
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)/b13-12+/t16-,17-,18+,19-/m1/s1
InChIKeyQPXXPLNAYDQELM-QNXXGYPUSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
15-ketoprostaglandin F1α (CHEBI:72593) has functional parent prostaglandin F1α (CHEBI:28852)
15-ketoprostaglandin F1α (CHEBI:72593) has role metabolite (CHEBI:25212)
15-ketoprostaglandin F1α (CHEBI:72593) is a prostaglandins Fα (CHEBI:36066)
15-ketoprostaglandin F1α (CHEBI:72593) is conjugate acid of 15-ketoprostaglandin F1α(1−) (CHEBI:79072)
Incoming Relation(s)
15-ketoprostaglandin F1α(1−) (CHEBI:79072) is conjugate base of 15-ketoprostaglandin F1α (CHEBI:72593)
IUPAC Name 
(9α,11α,13E)-9,11-dihydroxy-15-oxoprost-13-en-1-oic acid
Synonyms  Source
15k-PGF1aChEBI
15-keto-PGF1αChEBI
15-oxoprostaglandin F1αChEBI
15-keto-PGF1alphaChEBI
15-ketoprostaglandin F1αChEBI
15-oxo-PGF1αChEBI
Manual XrefsDatabases
LMFA03010150LIPID MAPS
Registry NumbersSources
Reaxys:2951603Reaxys