Structure Database (LMSD)

Common Name
6-s-cis-locked retinal
Systematic Name
Synonyms
LM ID
LMPR01090039
Formula
C20H26O
Exact Mass
Calculate m/z
282.198365
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Retinoids [PR0109]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
A novel rhodopsin analogue possessing the conformationally 6-s-cis-fixed retinylidene chromophore,
J. Chem. Soc., Chem. Commun, 1985

String Representations

InChiKey (Click to copy)
JVGDQKMURJQSGU-SRVROKRMSA-N
InChi (Click to copy)
InChI=1S/C20H26O/c1-15(12-13-21)8-7-9-16(2)19-14-17-10-5-6-11-18(17)20(19,3)4/h7-9,12-14H,5-6,10-11H2,1-4H3/b8-7+,15-12+,16-9-
SMILES (Click to copy)
C1CC2C=C(C(C)(C)C=2CC1)/C(=C\C=C\C(\C)=C\C=O)/C

Other Databases

LIPIDBANK ID
VVA0038
PubChem CID
16061326

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 322.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.47
Molar Refractivity 90.08

Admin

Created at
-
Updated at
30th Jun 2021