Structure Database (LMSD)

OH
Common Name
13-cis-retinol
Systematic Name
13Z-retinol
Synonyms
LM ID
LMPR01090011
Formula
C20H30O
Exact Mass
Calculate m/z
286.229665
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)
FPIPGXGPPPQFEQ-HWCYFHEPSA-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)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C\CO)/C)/C)=C(C)CC1

References

Other Databases

HMDB ID
HMDB0000305
CHEBI ID
45479
LIPIDBANK ID
VVA0006
PubChem CID
9904001
GuidePharm ID
6672

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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Created at
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Updated at
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