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beta-carotene

^ http://purl.obolibrary.org/obo/CHEBI_17579

A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid.

Synonyms: beta-Carotene, BETA-CAROTENE, beta,beta-carotene

Term info

database cross reference
Subsets

3_STAR

charge

0

formula

C40H56

has related synonym

beta-Karotin, all-trans-beta-carotene, 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)

has alternative id

CHEBI:12392, CHEBI:10355, CHEBI:22834, CHEBI:40987

has obo namespace

chebi_ontology

id

CHEBI:17579

inchi

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+

inchikey

OENHQHLEOONYIE-JLTXGRSLSA-N

mass

536.87264

monoisotopicmass

536.43820

smiles

CC(\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