Bisdehydro-beta-carotene/ Tetradehydro-beta-carotene

Properties Image MNX_ID MNXM9944 reference chebi:178730 formula C40H52 global charge 0 mol weight 532.856 InChIKey BKZTVLROJALEDI-JLTXGRSLSA-N InChI InChI=1S/C40H52/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/h11-28H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ 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/C2=C(C)C=CCC2(C)C)C(C)(C)CC=C1 MNX internals InChI (mnx) InChI=1/C40H52/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/h11-28H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ 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:28]\[C:38]1=[C:36]([CH3:6])[CH:24]=[CH:16][CH2:30][C:40]1([CH3:9])[CH3:10])/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])/[CH:25]=[CH:27]/[C:37]1=[C:35]([CH3:5])[CH:23]=[CH:15][CH2:29][C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0