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Isozeaxanthin

CAT: 0804-HY-W750709-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W750709-02Size:5 mg
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Description
Isozeaxanthin is a carotenoid that can be isolated from some Antarctic fish (e.g. species from the families Rajidae and Notothenidae) [1].
CAS Number
29065-03-0
UNSPSC
12352211
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Smiles
OC1C(C)=C(C(C)(CC1)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(CCC2(C)C)O)C
Molecular Formula
C40H56O2
Molecular Weight
568.87
References & Citations
[1]Czeczuga B, et al. Carotenoids in fish XIV. The carotenoid content in the flesh of certain species from the Antarctic. Hydrobiologia, 1978, 60 (2) : 173-175.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Isozeaxanthin

Isozeaxanthin is a xanthophyll.

CAS Number29065-03-0
PubChem CID11757703
IUPAC Name3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
Molecular FormulaC40H56O2
Molecular Weight568.9
XLogP10.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1190
SMILES
CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(CCC2(C)C)O)C)\C)\C)/C)/C
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey
GYZWNQLEQAGWGD-DKLMTRRASA-N
Chemical Structure
2D Structure
2D structure of Isozeaxanthin
CAS: 29065-03-0
CID: 11757703
Formula: C40H56O2
MW: 568.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight568.9
XLogP310.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass568.42803102
Monoisotopic Mass568.42803102
Topological Polar Surface Area40.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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