Structure Database (LMSD)
Common Name
2,3-Dihydroxy-4-keto-gamma-carotene
Systematic Name
(2,3-trans)-2,3-Dihydroxy-β,psi-caroten-4-one
Synonyms
3D model of 2,3-Dihydroxy-4-keto-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)
OVFZDLQYLJFCFF-GNZAGARISA-N
InChi (Click to copy)
InChI=1S/C40H54O3/c1-29(2)17-13-20-32(5)23-15-25-33(6)24-14-21-30(3)18-11-12-19-31(4)22-16-26-34(7)27-28-36-35(8)37(41)38(42)39(43)40(36,9)10/h11-12,14-19,21-28,38-39,42-43H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,30-18+,31-19+,32-23+,33-24+,34-26+
SMILES (Click to copy)
C1(O)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/C=C(\C)/CC/C=C(\C)/C)=C(C)C(=O)C1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bradyrhizobium lupini
(#136996)
Alphaproteobacteria
(#28211)
Carotenoids of rhizobia. II. The effect of nicotine on the carotenoid pattern of Rhizobium lupini.,
Arch Microbiol, 1978
Arch Microbiol, 1978
Pubmed ID:
718371
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
1
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
680.25
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
10.47
Molar Refractivity
187.68
Admin
Created at
17th Nov 2021
Updated at
29th Nov 2021