(5S,6R)-beta-carotene 5,6-epoxide

Properties Image MNX_ID MNXM31305 reference chebi:35309 formula C40H56O global charge 0 mol weight 552.887 InChIKey RVCRIPILOFSMFG-MLLMWRMGSA-N InChI InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-22,24-26,30H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+/t39-,40+/m0/s1 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/[C@]23O[C@@]2(C)CCCC3(C)C)C(C)(C)CCC1 MNX internals InChI (mnx) InChI=1/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-22,24-26,30H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+/t39-,40+/m0/s1 SMILES (mnx) [CH3:1][C:31](=[CH:17]\[CH:11]=[CH:12]\[CH:18]=[C:32]([CH3:2])\[CH:20]=[CH:14]\[CH:22]=[C:34]([CH3:4])\[CH:26]=[CH:30]\[C@@:40]12[C:38]([CH3:8])([CH3:9])[CH2:28][CH2:16][CH2:29][C@:39]1([CH3:10])[O:41]2)/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])/[CH:24]=[CH:25]/[C:36]1=[C:35]([CH3:5])[CH2:23][CH2:15][CH2:27][C:37]1([CH3:6])[CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0