Structure Database (LMSD)
Common Name
1'-Hydroxy-gamma-carotene
Systematic Name
1',2'-Dihydro-β,psi-caroten-1'-ol
Synonyms
- 1'-OH-gamma-Carotene
- Carotenoid B
3D model of 1'-Hydroxy-gamma-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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides
(#1063)
Alphaproteobacteria
(#28211)
Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.,
J Bacteriol, 1997
J Bacteriol, 1997
Pubmed ID:
9393712
String Representations
InChiKey (Click to copy)
DROCAXVXABCPBS-BXJPXMKJSA-N
InChi (Click to copy)
InChI=1S/C40H58O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-15,18-25,28-29,41H,16-17,26-27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+
SMILES (Click to copy)
CC(C)(CCC/C(=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
667.95
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.25
Molar Refractivity
185.48
Admin
Created at
-
Updated at
22nd Nov 2023