Structure Database (LMSD)

Common Name
All-Trans-3,4-Didehydro Retinol
Systematic Name
3,4-didehydro-retinol
Synonyms
LM ID
LMPR01090008
Formula
C20H28O
Exact Mass
Calculate m/z
284.214015
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)
XWCYDHJOKKGVHC-OVSJKPMPSA-N
InChi (Click to copy)
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,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)C=C1

References

Other Databases

HMDB ID
HMDB0013117
CHEBI ID
132246
LIPIDBANK ID
VVA0002
PubChem CID
6436043

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 335.15
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.57
Molar Refractivity 93.61

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Created at
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Updated at
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