Structure Database (LMSD)

Common Name
9-cis-4-hydroxyretinoic acid
Systematic Name
Synonyms
LM ID
LMPR01090053
Formula
C20H28O3
Exact Mass
Calculate m/z
316.203845
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Retinoids [PR0109]

String Representations

InChiKey (Click to copy)
KGUMXGDKXYTTEY-NAXRMXIQSA-N
InChi (Click to copy)
InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7-,15-13+
SMILES (Click to copy)
C1CC(O)C(C)=C(/C=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C1(C)C

Other Databases

CHEBI ID
63802
PubChem CID
20849244

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
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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Updated at
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