beta-carotene (CHEBI:17579)

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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

Supplier Information	ChemicalBook:CB0468994, ChemicalBook:CB3468995, eMolecules:494208, ZINC000000155996

Download	Molfile XML SDF

more structures >>

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M END): 21 ms

reading 96 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

96 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Wikipedia	License
m-Coumaric acid is a hydroxycinnamic acid, an organic compound that is a hydroxy derivative of cinnamic acid. There are three isomers of coumaric acid – o-coumaric acid, m-coumaric acid, and p-coumaric acid – that differ by the position of the hydroxy substitution of the phenyl group. m-Coumaric acid can be found in vinegar.
Read full article at Wikipedia

Formula

C40H56

Net Charge

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

Citations

Last Modified

27 July 2021

CHEBI:17579 - β-carotene

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