Structure Database (LMSD)

Common Name
(11Z)-8,18-propano-retinal
Systematic Name
Synonyms
LM ID
LMPR01090045
Status
Active
Exact Mass
Calculate m/z
324.245315
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)
RGGWFVJDHYDPGV-BOVRYGTNSA-N
InChi (Click to copy)
InChI=1S/C23H32O/c1-18(14-16-24)9-7-10-19(2)21-12-6-5-11-20-13-8-15-23(3,4)22(20)17-21/h7,9-10,14,16-17H,5-6,8,11-13,15H2,1-4H3/b9-7-,18-14+,19-10+,21-17+
SMILES (Click to copy)
C1C(C)(C)C2C=C(/C(/C)=C/C=C\C(\C)=C\C=O)CCCCC=2CC1

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

CHEBI ID
LIPIDBANK ID
VVA0044
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 374.69
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.64
Molar Refractivity 103.93

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Created at
-
Updated at
30th Jun 2021