Structure database (LMSD)

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LM IDLMPR01090042
Common Name11Z-6s-trans-fixed bicyclic retinal
Systematic Name-
Synonyms-
Exact Mass
282.1984 (neutral)    Calculate m/z:
FormulaC20H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassRetinoids [PR0109]
LIPIDBANK IDVVA0041
PubChem CID16061329
InChIKeyJZVQPHGYTPIYGJ-XMTSQJESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H26O/c1-15(10-12-21)7-5-8-16(2)18-13-19-17(3)9-6-11-20(19,4)14-18/h5,7-8,10,12-13H,6,9,11,14H2,1-4H3/b7-5-,15-10+,16-8+
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SMILES
C1C(C)=C2C=C(CC2(C)CC1)/C(=C/C=C\C(\C)=C\C=O)/C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings2Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
322.79Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.47Molar
Refractivity
90.08