Structure Database (LMSD)

O
Common Name
11-cis-Dehydroretinal
Systematic Name
Synonyms
LM ID
LMPR01090007
Formula
C20H26O
Exact Mass
Calculate m/z
282.198365
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)
QHNVWXUULMZJKD-IOUUIBBYSA-N
InChi (Click to copy)
InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+
SMILES (Click to copy)
C1(/C=C/C(/C)=C/C=C\C(\C)=C\C=O)=C(C)C=CCC1(C)C

References

Other Databases

KEGG ID
C05919
PubChem CID
5280867

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 332.51
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.49
Molar Refractivity 92.10

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Created at
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Updated at
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