EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73944 - 2,3-dinor-6-oxoprostaglandin F1α

ChEBI IDCHEBI:73944
ChEBI Name2,3-dinor-6-oxoprostaglandin F1α
Stars
ASCII Name2,3-dinor-6-oxoprostaglandin F1alpha
DefinitionA prostanoid that is prostaglandin F1α lacking two methylenes in the carboxyalkyl chain and bearing an oxo group at the 6-position.
Last Modified23 October 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H30O6
Net Charge0
Average Mass342.432
Monoisotopic Mass342.20424
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CC(=O)CCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
InChIKeyDNKGWNLXBRCUCF-NLOSNHEGSA-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)
2,3-dinor-6-oxoprostaglandin F1α (CHEBI:73944) has functional parent prostaglandin F1α (CHEBI:28852)
2,3-dinor-6-oxoprostaglandin F1α (CHEBI:73944) has role metabolite (CHEBI:25212)
2,3-dinor-6-oxoprostaglandin F1α (CHEBI:73944) is a 4-oxo monocarboxylic acid (CHEBI:35950)
2,3-dinor-6-oxoprostaglandin F1α (CHEBI:73944) is a prostanoid (CHEBI:26347)
2,3-dinor-6-oxoprostaglandin F1α (CHEBI:73944) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
19-hydroxy-2,3-dinor-6-oxoprostaglandin F1α (CHEBI:73951) has functional parent 2,3-dinor-6-oxoprostaglandin F1α (CHEBI:73944)
IUPAC Names 
(13E,15S)-9α,11α,15-trihydroxy-2,3-dinor-6-oxoprost-13-en-1-oic acid
5-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl}-4-oxopentanoic acid
Synonyms  Source
2,3-dinor-6-ketoprostaglandin F1αChemIDplus
2,3-dinor-6-oxo-pgf1αChemIDplus
2,3-dinor-6-keto-PGF1αChEBI
2,3-dinor-6-oxo-PGF1αChEBI
Pgi2-MChemIDplus
2,3-dkpgf1αChemIDplus
Manual XrefsDatabases
HMDB0002277HMDB
LMFA03010089LIPID MAPS
Registry NumbersSources
Reaxys:4540372Reaxys
CAS:64700-71-6ChemIDplus
Citations