Structure Database (LMSD)

O O
Common Name
Retinol Acetate/All-trans-retinyl Acetate
Systematic Name
Retinyl acetate
Synonyms
LM ID
LMPR01090012
Formula
C22H32O2
Exact Mass
Calculate m/z
328.24023
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
QGNJRVVDBSJHIZ-QHLGVNSISA-N
InChi (Click to copy)
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)=C(C)CC1

References

Other Databases

CHEBI ID
32095
LIPIDBANK ID
VVA0007
PubChem CID
638034
Cayman ID
20242

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 378.54
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.37
Molar Refractivity 103.25

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Created at
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Updated at
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