Structure Database (LMSD)
Common Name
6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid
Synonyms
- 6-keto-Prostaglandin F1alpha
- 6-oxo-prostaglandin F1alpha
- 6-Oxo-PGF1alpha
LM ID
LMFA03010001
Formula
Exact Mass
Calculate m/z
370.23554
Sum Composition
Status
Active
3D model of 6-keto-PGF1alpha
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
KFGOFTHODYBSGM-ZUNNJUQCSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/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/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
387.02
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.31
Molar Refractivity
100.16
Admin
Created at
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Updated at
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