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CHEBI:72595 - 6,15-diketo,13,14-dihydroprostaglandin F1α

ChEBI IDCHEBI:72595
ChEBI Name6,15-diketo,13,14-dihydroprostaglandin F1α
Stars
ASCII Name6,15-diketo,13,14-dihydroprostaglandin F1alpha
DefinitionA prostaglandin Fα that is prostaglandin F1α bearing keto substituents at positions 6 and 15.
Last Modified1 March 2013
Submittermwilliams
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCCCCC(=O)/C=C/[C@@H]1[C@@H](CC(=O)CCCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,16-19,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t16-,17-,18-,19+/m1/s1
InChIKeyVKPWUQVGTPVEMU-QVPQFPIISA-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)
6,15-diketo,13,14-dihydroprostaglandin F1α (CHEBI:72595) has functional parent prostaglandin F1α (CHEBI:28852)
6,15-diketo,13,14-dihydroprostaglandin F1α (CHEBI:72595) has role metabolite (CHEBI:25212)
6,15-diketo,13,14-dihydroprostaglandin F1α (CHEBI:72595) is a prostaglandins Fα (CHEBI:36066)
IUPAC Name 
(9α,11α,13E)-9,11-dihydroxy-6,15-dioxoprost-13-en-1-oic acid
Synonyms  Source
6,15dk,13,14dh-PGF1aChEBI
6,15-dioxo-9S,11R-dihydroxy-13E-prostenoic acidLIPID MAPS
Manual XrefsDatabases
HMDB0001979HMDB
LMFA03010013LIPID MAPS