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CHEBI:17579 - β-carotene
| Formula | C40H56 |
| Net Charge | 0 |
| Average Mass | 536.888 |
| Monoisotopic Mass | 536.43820 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 |
| 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 |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | 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. biological pigment An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. provitamin A A provitamin that can be converted into vitamin A by enzymes from animal tissues. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 4-hydroxy-all-trans-β-carotene (CHEBI:140677) has functional parent β-carotene (CHEBI:17579) |
| 4,4-dihydroxy-all-trans-β-carotene (CHEBI:140678) has functional parent β-carotene (CHEBI:17579) |
| β-carotene 5,6-epoxide (CHEBI:27793) has functional parent β-carotene (CHEBI:17579) |
| meso-zeaxanthin (CHEBI:138919) has parent hydride β-carotene (CHEBI:17579) |
| 7,8-dihydro-β-carotene (CHEBI:80427) 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) |
| β-cryptoxanthin (CHEBI:10362) has parent hydride β-carotene (CHEBI:17579) |
| IUPAC Name |
|---|
| β,β-carotene |
| Synonyms | Source |
|---|---|
| beta-Carotene | KEGG COMPOUND |
| BETA-CAROTENE | PDBeChem |
| 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 |
| β-Karotin | ChEBI |
| UniProt Name | Source |
|---|---|
| all-trans-β-carotene | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C02094 | KEGG COMPOUND |
| BCR | PDBeChem |
| LMPR01070001 | LIPID MAPS |
| LMPR01070000 | LIPID MAPS |
| Beta_Carotene | Wikipedia |
| D03101 | KEGG DRUG |
| HMDB0000561 | HMDB |
| CPD1F-129 | MetaCyc |
| C00000919 | KNApSAcK |
| 345 | DrugCentral |
| Citations |
|---|