Structure Database (LMSD)
Common Name
2-Hydroxyastaxanthin
Systematic Name
(2R,3S,3'S)-2,3,3'-Trihydroxy-β,β-carotene-4,4'-dione
Synonyms
3D model of 2-Hydroxyastaxanthin
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)
FHWKCLRYHASIMG-JXBZEQIMSA-N
InChi (Click to copy)
InChI=1S/C40H52O5/c1-26(17-13-19-28(3)21-23-32-30(5)35(42)34(41)25-39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)36(43)37(44)38(45)40(33,9)10/h11-24,34,37-38,41,44-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,37+,38-/m0/s1
SMILES (Click to copy)
[C@@H]1(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/C2=C(C)C(=O)[C@@H](O)CC2(C)C)=C(C)C(=O)[C@H]1O
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Brevundimonas
(#2622653)
Alphaproteobacteria
(#28211)
New Trihydroxy-keto-carotenoids Isolated from an Astaxanthin-producing Marine Bacterium.,
Biosci Biotechnol Biochem, 1996
Biosci Biotechnol Biochem, 1996
Pubmed ID:
27299394
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
2
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
685.47
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
8.74
Molar Refractivity
187.88
Admin
Created at
17th Nov 2021
Updated at
14th Dec 2021