Structure Database (LMSD)
Common Name
Mutatoxanthin
Systematic Name
(3S,5R,8RS,3'R)-5,8-Epoxy-5,8-dihydro-β,β-carotene-3,3'-diol
Synonyms
- Citroxanthin
- Zeaxanthin furanoside
3D model of Mutatoxanthin
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)
IFYMEZNJCAQUME-HHBFRJADSA-N
InChi (Click to copy)
InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34+,36?,40-/m1/s1
SMILES (Click to copy)
C1C(C)(C)C2=CC(O[C@]2(C)C[C@H]1O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Euglena gracilis
(#3039)
Euglenida
(#3035)
The carotenoids of the flagellated alga. Euglena gracilis.,
Arch Biochem Biophys, 1960
Arch Biochem Biophys, 1960
Pubmed ID:
13754347
Corbicula
(#45948)
Bivalvia
(#6544)
Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).,
J Agric Food Chem, 2005
J Agric Food Chem, 2005
Pubmed ID:
16218688
Lycium barbarum
(#112863)
Magnoliopsida
(#3398)
Goji (Lycium barbarum and L. chinense): Phytochemistry, pharmacology and safety in the perspective of traditional uses and recent popularity.,
Planta Med, 2010
Planta Med, 2010
Pubmed ID:
19844860
Oscillatoria limosa
(#153188)
The carotenoids of blue-green algae,
Phytochemistry, 1971
Phytochemistry, 1971
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
3
Aromatic Rings
Rotatable Bonds
9
Van der Waals Molecular Volume
663.45
Topological Polar Surface Area
51.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
10.90
Molar Refractivity
185.74
Admin
Created at
17th Nov 2021
Updated at
3rd Dec 2021