Structure Database (LMSD)

Common Name
(11Z)-8,18-methano-retinal
Systematic Name
Synonyms
LM ID
LMPR01090044
Status
Active
Exact Mass
Calculate m/z
296.214015
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
UXYMBRVBEUJGTO-VXKSIPEOSA-N
InChi (Click to copy)
InChI=1S/C21H28O/c1-16(12-14-22)7-5-8-17(2)19-11-10-18-9-6-13-21(3,4)20(18)15-19/h5,7-8,12,14-15H,6,9-11,13H2,1-4H3/b7-5-,16-12+,17-8+
SMILES (Click to copy)
C1C(C)(C)C2C=C(CCC=2CC1)/C(=C/C=C\C(\C)=C\C=O)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Retinoids and related compounds. Part 26.1 Synthesis of (11Z)-8,18-propano- and methano-retinals and conformational study of the rhodopsin chromophore,
J. Chem. Soc., Perkin Trans, 2001

Other Databases

LIPIDBANK ID
VVA0043
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 340.09
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.86
Molar Refractivity 94.69

Admin

Created at
-
Updated at
30th Jun 2021