Structure Database (LMSD)
Common Name
14-methyl-20,14-retro-retinoic acid
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 14-methyl-20,14-retro-retinoic acid
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)
JVNZTBXNNSQXJS-FGKSVAIXSA-N
InChi (Click to copy)
InChI=1S/C21H30O2/c1-15(9-7-10-16(2)18(4)20(22)23)12-13-19-17(3)11-8-14-21(19,5)6/h7,9-10,12-13,18H,2,8,11,14H2,1,3-6H3,(H,22,23)/b10-7+,13-12+,15-9+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C)C(C)C(O)=O)/C)=C(C)CC1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Base-catalyzed isomerization of retinoic acid. Synthesis and differentiation-inducing activities of 14-alkylated all-trans-, 13-cis-, and 20,14-retro-retinoic acids.,
J Med Chem, 1992
J Med Chem, 1992
Pubmed ID:
1738149
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
361.24
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.85
Molar Refractivity
98.31
Admin
Created at
-
Updated at
20th Dec 2022