α-carotene

Chemical Formula:

C₄₀H₅₆

Molecular Weight:

536.882 Daltons

Monoisotopic Mass:

536.4382017976 Daltons

SMILES:

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

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/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1

InChIKey:

ANVAOWXLWRTKGA-NTXLUARGSA-N

Synonyms

β,ε-carotene

Databases

MetaCyc: CPD1F-118

ChEBI: 35147

PubChem (CID): 6419725

HMDB: HMDB03993

LIPID MAPS: LMPR01070258

ChemSpider: 3571861

KEGG: C05433

Seed: cpd03218

MetaNetX: MNXM2000