FoodTCM

beta-carotene 5,6-epoxide

Name(s)	beta-carotene 5,6-epoxide
Scientific name(s)	5,6-epoxy-beta,beta-carotene; 2,2,6-trimethyl-1-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptane; beta-carotene-5,6-epoxide; c08587; .beta.,.beta.-carotene, 5,6-epoxy-5,6-dihydro-; schembl2949643
Formula	C40H56O
Molecular mass	552.9
IUPAC name	2,2,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptane
INCHI	Not available
SMILE	[H]/C(=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])C12OC1(C)CCCC2(C)C)/C(/[H])=C(\C)/C(/[H])=C(\[H])/C(/[H])=C(\C)/C(/[H])=C(\[H])C1=C(C)CCCC1(C)C
CAS ID	1923-89-3
PubChem ID	5281231
DrugBank ID	Not available
CHEBI ID	27793

Description	Beta-carotene 5,6-epoxide, also known as 5,6-epoxy-beta,beta-carotene, is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Thus, beta-carotene 5,6-epoxide is considered to be an isoprenoid lipid molecule. Beta-carotene 5,6-epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-carotene 5,6-epoxide can be found in a number of food items such as mango, apple, sweet orange, and papaya, which makes beta-carotene 5,6-epoxide a potential biomarker for the consumption of these food products.

Description

Beta-carotene 5,6-epoxide, also known as 5,6-epoxy-beta,beta-carotene, is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Thus, beta-carotene 5,6-epoxide is considered to be an isoprenoid lipid molecule. Beta-carotene 5,6-epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-carotene 5,6-epoxide can be found in a number of food items such as mango, apple, sweet orange, and papaya, which makes beta-carotene 5,6-epoxide a potential biomarker for the consumption of these food products.