Structure Database (LMSD)
Common Name
beta,gamma-Carotene
Systematic Name
(6'S)-β,γ-Carotene
Synonyms
3D model of beta,gamma-Carotene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AFQPSLVGGMCBOR-QTRZAOAUSA-N
InChi (Click to copy)
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28,37H,5,15-16,23-24,29-30H2,1-4,6-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m1/s1
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(=C)CCCC2(C)C)=C(C)CC1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Caloscypha fulgens
(#47187)
Pezizomycetes
(#147549)
Absolute configuration of β,γ-carotene and biosynthetic implications,
Phytochemistry, 1977
Phytochemistry, 1977
Coccinella septempunctata
(#41139)
Insecta
(#50557)
Pigmentation of the ladybird beetle Coccinella septempunctata by carotenoids not of plant origin.,
Nature, 1977
Nature, 1977
Pubmed ID:
840295
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
646.80
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP
12.46
Molar Refractivity
181.32
Admin
Created at
17th Nov 2021
Updated at
6th Jan 2022