Structure database (LMSD)

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LM IDLMPR01090036
Common Name9-cis retro-γ-retinal
Systematic Name-
Synonyms-
Exact Mass
284.2140 (neutral)    Calculate m/z:
FormulaC20H28O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassRetinoids [PR0109]
LIPIDBANK IDVVA0035
PubChem CID16061323
InChIKeyXHBHYZOZHVKBDH-KJOIPLMZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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/h6,8-9,12-13,15H,3,7,10-11,14H2,1-2,4-5H3/b9-6+,16-8-,17-13+,19-12+
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SMILES
C1C(C)(C)/C(=C/C/C(=C\C=C\C(\C)=C\C=O)/C)/C(=C)CC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
335.15Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.72Molar
Refractivity
92.19