FComEx: beta-Carotene (PC001053)

Record Information

Version

1.0

Creation date

2018-04-10 09:58:51 UTC

Update date

2018-04-16 14:14:10 UTC

FoodComEx ID

PC001053

FoodDB Record

FDB014613

Chemical Information

Name

beta-Carotene

Description

Vitamin A precursor. Beta-carotene is an organic, strongly colored red-orange pigment abundant in many foods, some of which are carrot, apricot, red chili, kale, endive, parsley, spinach... When used as a food coloring, it has the E number E160a.

CAS Number

7235-40-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(all-e)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis	HMDB
(all-e)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-cyclohexene	HMDB
β-Carotene	biospider
β,β-Carotene	biospider
1,1'-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)	ChEBI
all-e-b-Carotene	biospider
all-epsilon-beta-Carotene	biospider
all-trans-b-Carotene	biospider
all-trans-beta-Carotene	biospider
all-trans-β-carotene	Generator
b-Carotene	Generator
b-Karotin	Generator
b,b-Carotene	db_source
beta-Karotin	ChEBI
Betacarotene	biospider
Betacarotene, INN, USAN	db_source
BetaVit	HMDB
C.I. Food Orange 5	biospider
Carotaben	db_source
Carotene base 80S	HMDB
E160a	db_source
Food Orange 5	biospider
KPMK	HMDB
Lucaratin	HMDB
Lucarotin	biospider
Lurotin	biospider
Phenoro	db_source
Provatene	db_source
Provatenol	biospider
Rovimix b-carotene	HMDB
Serlabo	HMDB
Solatene	db_source
trans-b-carotene	biospider
Vetoron	biospider
β-carotene	Generator
β-karotin	Generator

Chemical Formula

C40H56

IUPAC name

1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene

InChI Identifier

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+

InChI Key

OENHQHLEOONYIE-JLTXGRSLSA-N

Isomeric SMILES

C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C

Average Molecular Weight

536.888

Monoisotopic Molecular Weight

536.438201803

Chemical Taxonomy

Class

Carotenoids

Family