Structure Database (LMSD)
Common Name
3,4-Dehydro-gamma,chi-carotene
Systematic Name
(6S)-3,4-Didehydro-γ,chi-carotene
Synonyms
3D model of 3,4-Dehydro-gamma,chi-carotene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Clathria prolifera
(#1190602)
Demospongiae
(#6042)
Carotenoids of the marine sponge Microciona prolifera,
Comparative Biochemistry and Physiology, 1980
Comparative Biochemistry and Physiology, 1980
String Representations
InChiKey (Click to copy)
LERBNNCRZFUNCR-KGMAROEJSA-N
InChi (Click to copy)
InChI=1S/C40H50/c1-30(18-13-20-32(3)23-26-38-27-25-34(5)36(7)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-35(6)22-15-29-40(39,9)10/h11-28,39H,6,29H2,1-5,7-10H3/b12-11+,18-13+,19-14+,26-23+,28-24+,30-16+,31-17+,32-20+,33-21+/t39-/m1/s1
SMILES (Click to copy)
C1C(C)(C)[C@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=CC=C(C)C(C)=C2C)C(=C)C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
627.98
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP
11.79
Molar Refractivity
181.44
Admin
Created at
17th Nov 2021
Updated at
10th Jan 2022