6,15-dioxo-9S,11R-dihydroxy-13E-prostenoic acid
Basic information
- CAS
63446-59-3- Standard SMILES
CCCCCC(=O)/C=C/[C@@H]1[C@@H](CC(=O)CCCCC(=O)O)[C@@H](O)C[C@H]1O- InChIKey
VKPWUQVGTPVEMU-QVPQFPIISA-N- Molecular formula
- C20H32O6
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.21988874
Overview
6,15-diketo,13,14-dihydroprostaglandin F1alpha is a prostaglandin Falpha that is prostaglandin F1alpha bearing keto substituents at positions 6 and 15. It has a role as a metabolite. It is functionally related to a prostaglandin F1alpha.
Names & identifiers
- Preferred name
- 6,15-dioxo-9S,11R-dihydroxy-13E-prostenoic acid
- IUPAC
- 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]-6-oxoheptanoic acid
Names & synonyms
6,15-dioxo-9S,11R-dihydroxy-13E-prostenoic acid7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]-6-oxoheptanoic acid63446-59-36,15-diketo,13,14-dihydroprostaglandin F1alpha6,15-dioxo-PGF1alphaCHEBI:725956,15dk,13,14dh-PGF1a6,15-dioxo-Prostaglandin F1alphaLMFA030103096,15-diketo-13,14-dihydro-PGF1a6,15-Diketo,13,14-dihydro-PGF1a6,15-diketo,13,14-dihydro-PGF1alpha
Show more names
DB-2967026,15-dioxo-9S,11R-dihydroxy-13E-prostenoateQ27140003(9alpha,11alpha,13E)-9,11-dihydroxy-6,15-dioxoprost-13-en-1-oic acid7-[(1R,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-oxooct-1-enyl ]cyclopentyl ]-6-oxoheptanoic acid
Database identifiers
- CAS
63446-59-3- PubChem CID
- 5283033
- ChEBI
CHEBI:72595
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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