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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: | biological pigment An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light. 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). 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). provitamin A A provitamin that can be converted into vitamin A by enzymes from animal tissues. 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. |
| Applications: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. |
| 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 cardiovascular drug (CHEBI:35554) |
| 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 ophthalmology drug (CHEBI:66981) |
| 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 |
| INN | Source |
|---|---|
| betacaroteno | WHO MedNet |
| Synonyms | Source |
|---|---|
| 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-.beta.-carotene | ChEMBL |
| Beta, beta-carotene | ChEMBL |
| .beta.-carotene | ChEMBL |
| beta carotene | ChEMBL |
| beta-Carotene | KEGG COMPOUND |
| Brand Names | Source |
|---|---|
| Eldon | ChEMBL |
| Gerard | ChEMBL |
| Golden rose | ChEMBL |
| Lumitene | ChEMBL |
| Nature's plus | ChEMBL |
| Optimum | ChEMBL |
| UniProt Name | Source |
|---|---|
| all-trans-β-carotene | UniProt |
| 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 |
| Citations |
|---|