Structure Database (LMSD)
Common Name
all-trans-18-Hydroxyretinoic acid
Systematic Name
(2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of all-trans-18-Hydroxyretinoic 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)
XSJOIRFEYHJNAW-FCKHSPHMSA-N
InChi (Click to copy)
InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+
SMILES (Click to copy)
C1(/C=C/C(/C)=C/C=C/C(/C)=C/C(=O)O)=C(CO)CCCC1(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
352.73
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.86
Molar Refractivity
95.66
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Created at
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Updated at
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