Structure database (LMSD)

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LM IDLMPR01090006
Common Nameall-trans-Dehydroretinal
Systematic Name-
Synonyms-
Exact Mass
282.1984 (neutral)    Calculate m/z:
FormulaC20H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassRetinoids [PR0109]
PubChem CID5280866
KEGG IDC05918
HMDB IDHMDB0035695
CHEBI ID28537
InChIKeyQHNVWXUULMZJKD-OVSJKPMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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+
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SMILES
C1(/C=C/C(/C)=C/C=C/C(/C)=C/C=O)=C(C)C=CCC1(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
332.51Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.49Molar
Refractivity
92.10