Chemical Formula C40H56

Molecular Weight 536.88 Daltons
Monoisotopic Mass 536.4382017976 Daltons

BioCyc Id CPD1F-118
Synonyms β,ε-carotene
SMILES CC(/C=C/C=C(C)/C=C/[C@@H]1(C(C)(C)CC\C=C(C)/1))=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2(\C(C)(C)CCCC(/C)=2)
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/h11-14,17-23,25-28,37H,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 InChIKey=ANVAOWXLWRTKGA-NTXLUARGSA-N
Biological Roles
Log P 13.6
Topological Polar Surface Area 0.0 Å
Standard Gibbs Free Energy of Formation (ΔfG'°) 784.5227 kcal/mol []

ChEBI 35147
ChemSpider 3571861
HMDB HMDB03993
Kegg C05433
LIPID MAPS LMPR01070258
MetaNetX MNXM2000
PubChem 6419725
Seed cpd03218
ZINC ZINC000008219946