Structure Database (LMSD)
Common Name
Beta-carotene
Systematic Name
Synonyms
3D model of Beta-carotene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
β-Carotene is a red/orange-colored fat-soluble terpenoid with antioxidant properties.1 It can be enzymatically cleaved to produce vitamin A and retinoic acid. Vitamin A is important for vision and bone growth, while retinoic acid, through the retinoic acid receptor, plays an important role in cell differentiation.
This information has been provided by Cayman Chemical
References
1. Negishi, H., Ueda, Y., and Azuma, M. Antioxidant fat-soluble vitamins and lipid peroxides in serum. J. Clin. Biochem. Nutr. 26(3), 227-234 (1999).
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
OENHQHLEOONYIE-JLTXGRSLSA-N
InChi (Click to copy)
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
SMILES (Click to copy)
C1[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)CCCC=2C)=C(C)CC1
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
VCA0001
PubChem CID
SwissLipids ID
Cayman ID
Carotenoid ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
646.80
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
12.61
Molar Refractivity
181.39
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Updated at
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