Structure Database (LMSD)
Common Name
all-trans-13,14-dihydroretinol
Systematic Name
13,14-dihydroretinol
Synonyms
- 13,14-Dihydroretinol
3D model of all-trans-13,14-dihydroretinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
all-trans-13,14-Dihyrdroretinol is a metabolite of all-trans retinoic acid .1 all-trans-13,14-Dihydroretinol is formed from all-trans retinoic acid by retinol saturase.
This information has been provided by Cayman Chemical
References
1. Weber, P., Flores, R.E., Kiefer, M.F., et al. Retinol saturase: More than the name suggests. Trends Pharamacol. Sci. 41(6), 418-427 (2020).
String Representations
InChiKey (Click to copy)
OVBOQVAIYMSUDT-HRYGCDPOSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+
SMILES (Click to copy)
C1(CCCC(C)=C1/C=C/C(/C)=C/C=C/C(C)CCO)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
340.43
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.87
Molar Refractivity
93.73
Admin
Created at
-
Updated at
9th Jun 2022