Structure Database (LMSD)
Common Name
Asymmetric 9Z-zeta-carotene
Systematic Name
(9Z)-7,8,11,12-Tetrahydro-psi,psi-carotene
Synonyms
3D model of Asymmetric 9Z-zeta-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
unidentified
(#32644)
Imported from Carotenoids DB http://carotenoiddb.jp/
String Representations
InChiKey (Click to copy)
YTZIWAULTIDEEY-VRIDVZOLSA-N
InChi (Click to copy)
InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,17,19-22,25,27-31H,13-14,16,18,23-24,26,32H2,1-10H3/b12-11+,25-15+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30-
SMILES (Click to copy)
C(=C(/C)\CC/C=C(\C)/C)/CC/C(/C)=C\CC/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
671.52
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP
13.39
Molar Refractivity
185.76
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021