Structure database (LMSD)

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LM IDLMPR01090029
Common Name19-Hydroxy-13-cis-retinoic acid
Systematic Name-
Synonyms-
Exact Mass
316.2038 (neutral)    Calculate m/z:
FormulaC20H28O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassRetinoids [PR0109]
LIPIDBANK IDVVA0028
PubChem CID16061319
InChIKeyQZKISTBYGXZBOE-WMBSQONYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H28O3/c1-15(13-19(22)23)7-5-9-17(14-21)10-11-18-16(2)8-6-12-20(18,3)4/h5,7,9-11,13,21H,6,8,12,14H2,1-4H3,(H,22,23)/b7-5+,11-10+,15-13-,17-9-
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SMILES
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C\C(O)=O)/C)/CO)=C(C)CC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
352.73Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.86Molar
Refractivity
95.66