Structure Database (LMSD)

Common Name
Retinol
Systematic Name
Retinol
Synonyms
  • Vitamin A
LM ID
LMPR01090001
Status
Active
Exact Mass
Calculate m/z
286.229665
Formula
C20H30O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
FPIPGXGPPPQFEQ-OVSJKPMPSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
SMILES (Click to copy)
C1[C@@](C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/CO)=C(C)CC1

References

Other Databases

Wikipedia
Retinol
KEGG ID
C00473
HMDB ID
HMDB0000305
CHEBI ID
17336
PubChem CID
445354
SwissLipids ID
SLM:000000511
Cayman ID
20241

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 337.79
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.80
Molar Refractivity 93.70

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Updated at
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