β-carotene

Chemical Formula:

C₄₀H₅₆

Molecular Weight:

536.882 Daltons

Monoisotopic Mass:

536.4382017976 Daltons

SMILES:

CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C

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

Synonyms

all-trans-β-carotene
β,β-carotene

Databases

MetaCyc: CPD1F-129

MetaboLights: MTBLC17579

HMDB: HMDB00561

LIPID MAPS: LMPR01070001

ChemSpider: 4444129

PubChem (CID): 5280489

ChEBI: 17579

KEGG: C02094

CAS: 7235-40-7

RefMet: beta-Carotene

Seed: cpd01420

MetaNetX: MNXM614

PupChem (SID): 5178

CHEMBL: CHEMBL1293

LIPIDBANK: VCA0001

KNApSAcK: C00000919

PDB-CCD: BCR

3DMET: B00389

NIKKAJI: J3.095C