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CHEBI:73974 - 13,14-dihydro-15-oxo-20-carboxy-PGF2α

ChEBI IDCHEBI:73974
ChEBI Name13,14-dihydro-15-oxo-20-carboxy-PGF2α
Stars
ASCII Name13,14-dihydro-15-oxo-20-carboxy-PGF2alpha
DefinitionA member of the class of prostaglandins Fα that is 15-oxo-prostaglandin F2α in which the methyl group has been oxidised to the corresponding carboxylic acid and in which the double bond at positions 13-14 has been reduced to a single bond.
Last Modified11 June 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H32O7
Net Charge0
Average Mass384.469
Monoisotopic Mass384.21480
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](CCC(=O)CCCCC(=O)O)[C@H](O)C[C@@H]1O
InChIInChI=1S/C20H32O7/c21-14(7-5-6-10-20(26)27)11-12-16-15(17(22)13-18(16)23)8-3-1-2-4-9-19(24)25/h1,3,15-18,22-23H,2,4-13H2,(H,24,25)(H,26,27)/b3-1-/t15-,16-,17+,18-/m1/s1
InChIKeyZOMSIHPATHBPLP-WBIFQALJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
13,14-dihydro-15-oxo-20-carboxy-PGF2α (CHEBI:73974) has functional parent 15-oxoprostaglandin F2α (CHEBI:28442)
13,14-dihydro-15-oxo-20-carboxy-PGF2α (CHEBI:73974) has role metabolite (CHEBI:25212)
13,14-dihydro-15-oxo-20-carboxy-PGF2α (CHEBI:73974) is a ketone (CHEBI:17087)
13,14-dihydro-15-oxo-20-carboxy-PGF2α (CHEBI:73974) is a oxo dicarboxylic acid (CHEBI:36145)
13,14-dihydro-15-oxo-20-carboxy-PGF2α (CHEBI:73974) is a prostaglandins Fα (CHEBI:36066)
IUPAC Name 
(5Z,9α,11α)-9,11-dihydroxy-15-oxoprost-5-ene-1,20-dioic acid
Synonyms  Source
19-carboxy-13,14-dihydro-20-nor-15-oxoprostaglandin F2αChEBI
19-carboxy-13,14-dihydro-20-nor-15-oxo-PGF2αChEBI