Structure Database (LMSD)
Common Name
Myxobactone
Systematic Name
1'-(β-D-Glucopyranosyloxy)-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-4-one
Synonyms
3D model of Myxobactone
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)
ALUKCTZWAURVJZ-MYECRAIPSA-N
InChi (Click to copy)
InChI=1S/C46H64O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-27-38-37(6)39(48)28-30-45(38,7)8)19-13-21-34(3)22-14-23-35(4)25-16-29-46(9,10)53-44-43(51)42(50)41(49)40(31-47)52-44/h11-27,40-44,47,49-51H,28-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t40-,41-,42+,43-,44+/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=C(\C)/C=C/CC(C)(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C)=C(C)C(=O)C1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Roseiflexus castenholzii
(#120962)
Chloroflexia
(#32061)
Absence of carotenes and presence of a tertiary methoxy group in a carotenoid from a thermophilic filamentous photosynthetic bacterium Roseiflexus castenholzii.,
Plant Cell Physiol, 2001
Plant Cell Physiol, 2001
Pubmed ID:
11773528
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
2
Aromatic Rings
Rotatable Bonds
16
Van der Waals Molecular Volume
806.85
Topological Polar Surface Area
118.52
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
10.75
Molar Refractivity
221.46
Admin
Created at
17th Nov 2021
Updated at
29th Nov 2021