Structure Database (LMSD)

Common Name
4-hydroxy-retinol
Systematic Name
3-[(1E,3E,5E,7E)-9-hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
Synonyms
LM ID
LMPR01090070
Formula
C20H30O2
Exact Mass
Calculate m/z
302.224581
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Identification of 14-hydroxy-retro-retinol and 4-hydroxy-retinol as endogenous retinoids in rats throughout neonatal development.,
Life Sci, 2005
Pubmed ID: 15680170

String Representations

InChiKey (Click to copy)
IOELQUUUYMBPSA-RMWYGNQTSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,19,21-22H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
SMILES (Click to copy)
C1[C@@](C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/CO)=C(C)C(O)C1

Other Databases

CHEBI ID
132259
PubChem CID
6080476

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 346.58
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.05
Molar Refractivity 95.60

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Created at
13th Jun 2025
Updated at
13th Jun 2025