Structure Database (LMSD)
Common Name
Tunaxanthin D
Systematic Name
(3R,6S,3'S,6'R)-ε,ε-Carotene-3,3'-diol
Synonyms
3D model of Tunaxanthin D
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)
BIPAHAFBQLWRMC-BVRLZCHZSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37+,38-
SMILES (Click to copy)
C1C(C)(C)[C@H](/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)=C[C@@H](O)CC2(C)C)C(C)=C[C@@H]1O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sebastes flavidus
(#72076)
Actinopteri
(#186623)
Comparative biochemical studies of carotenoids in fishes - XXVII. Stereochemical investigation of carotenoids from yellow-tail rockfish Sebastes flavidus,
NIPPON SUISAN GAKKAISH, 1985
NIPPON SUISAN GAKKAISH, 1985
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
664.38
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
10.83
Molar Refractivity
185.06
Admin
Created at
-
Updated at
22nd Mar 2024