Structure Database (LMSD)

Common Name
14-Hydroxy-retro-retinol
Systematic Name
Synonyms
LM ID
LMPR01090069
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
Mus musculus (#10090)
Mammalia (#40674)
Identification of 14-hydroxy-4,14-retro-retinol as an in vivo metabolite of vitamin A.,
Biochim Biophys Acta, 1996
Pubmed ID: 8652644

String Representations

InChiKey (Click to copy)
PCRZONNRANOQPA-XRKJSDEASA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12+
SMILES (Click to copy)
C1[C@](C)(C)/C(=C/C=C(\C)/C=C/C=C(/C(O)CO)\C)/C(C)=CC1

Other Databases

PubChem CID
6510267

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

Admin

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