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β-carotene (CHEBI:17579)

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ChEBI Name β-carotene
ChEBI ID CHEBI:17579
ChEBI ASCII Name beta-carotene
Last Modified 17 October 2009
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10355, CHEBI:22834, CHEBI:355373, CHEBI:12392, CHEBI:40987

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InChI
InChI=1/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
InChIKey=OENHQHLEOONYIE-JLTXGRSLBT
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
Formula Source
C40H56 KEGG COMPOUND
Charge 0
Mass 536.87264
ChEBI Ontology
Tree view
Outgoing β-carotene (CHEBI:17579) is a cyclic carotene (CHEBI:35163)
β-carotene (CHEBI:17579) has role antioxidant (CHEBI:22586)
Incoming zeaxanthin (CHEBI:27547) has parent hydride β-carotene (CHEBI:17579)
echinenone (CHEBI:4746) has parent hydride β-carotene (CHEBI:17579)
canthaxanthin (CHEBI:3362) has parent hydride β-carotene (CHEBI:17579)
astacin (CHEBI:35327) has parent hydride β-carotene (CHEBI:17579)
astaxanthin (CHEBI:40968) has parent hydride β-carotene (CHEBI:17579)
β-cryptoxanthin (CHEBI:10362) has parent hydride β-carotene (CHEBI:17579)
IUPAC Name
β,β-carotene
Synonyms Sources
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-trans-β-carotene NIST Chemistry WebBook
BETA-CAROTENE MSDchem
β-carotene IntEnz
beta-Carotene KEGG COMPOUND
β-Karotin ChEBI
Database Links Databases
BCR MSDchem
C02094 KEGG COMPOUND
LMPR01070000 LIPID MAPS
LMPR01070001 LIPID MAPS
MOL000093 COMe
355373 ChEMBL
Registry Numbers Types Sources
1917416 Beilstein Registry Number Beilstein
7235-40-7 CAS Registry Number KEGG COMPOUND
7235-40-7 CAS Registry Number NIST Chemistry WebBook
7235-40-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17420205 PubMed citation ChEMBL
17477572 PubMed citation ChEMBL
17480098 PubMed citation ChEMBL
17488130 PubMed citation ChEMBL
17503850 PubMed citation ChEMBL
17685651 PubMed citation ChEMBL

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