CHEBI:17579 - β-carotene

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ChEBI Name β-carotene
ChEBI ID CHEBI:17579
ChEBI ASCII Name beta-carotene
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40987, CHEBI:10355, CHEBI:12392, CHEBI:22834
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Formula C40H56
Net Charge 0
Average Mass 536.87264
Monoisotopic Mass 536.43820
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
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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
provitamin A
A provitamin that can be converted into vitamin A by enzymes from animal tissues.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ferroptosis inhibitor
Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-carotene (CHEBI:17579) has role antioxidant (CHEBI:22586)
β-carotene (CHEBI:17579) has role biological pigment (CHEBI:26130)
β-carotene (CHEBI:17579) has role cofactor (CHEBI:23357)
β-carotene (CHEBI:17579) has role ferroptosis inhibitor (CHEBI:173084)
β-carotene (CHEBI:17579) has role human metabolite (CHEBI:77746)
β-carotene (CHEBI:17579) has role mouse metabolite (CHEBI:75771)
β-carotene (CHEBI:17579) has role plant metabolite (CHEBI:76924)
β-carotene (CHEBI:17579) has role provitamin A (CHEBI:67200)
β-carotene (CHEBI:17579) is a carotenoid β-end derivative (CHEBI:139120)
β-carotene (CHEBI:17579) is a cyclic carotene (CHEBI:35163)
Incoming β-carotene 5,6-epoxide (CHEBI:27793) has functional parent β-carotene (CHEBI:17579)
4,4-dihydroxy-all-trans-β-carotene (CHEBI:140678) has functional parent β-carotene (CHEBI:17579)
4-hydroxy-all-trans-β-carotene (CHEBI:140677) has functional parent β-carotene (CHEBI:17579)
β-cryptoxanthin (CHEBI:10362) has parent hydride β-carotene (CHEBI:17579)
7,8-dihydro-β-carotene (CHEBI:80427) has parent hydride β-carotene (CHEBI:17579)
meso-zeaxanthin (CHEBI:138919) has parent hydride β-carotene (CHEBI:17579)
astacene (CHEBI:35327) has parent hydride β-carotene (CHEBI:17579)
astaxanthin (CHEBI:40968) has parent hydride β-carotene (CHEBI:17579)
canthaxanthin (CHEBI:3362) has parent hydride β-carotene (CHEBI:17579)
echinenone (CHEBI:4746) has parent hydride β-carotene (CHEBI:17579)
zeaxanthin (CHEBI:27547) 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 UniProt
all-trans-β-carotene NIST Chemistry WebBook
beta-Carotene KEGG COMPOUND
BETA-CAROTENE PDBeChem
β-Karotin ChEBI
Manual Xrefs Databases
345 DrugCentral
BCR PDBeChem
Beta_Carotene Wikipedia
C00000919 KNApSAcK
C02094 KEGG COMPOUND
CPD1F-129 MetaCyc
D03101 KEGG DRUG
HMDB0000561 HMDB
LMPR01070000 LIPID MAPS
LMPR01070001 LIPID MAPS
MOL000093 COMe
View more database links
Registry Numbers Types Sources
1917416 Reaxys Registry Number Reaxys
7235-40-7 CAS Registry Number KEGG COMPOUND
7235-40-7 CAS Registry Number ChemIDplus
7235-40-7 CAS Registry Number NIST Chemistry WebBook
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Last Modified
27 July 2021