4'-apo-beta-carotenal

Properties Image MNX_ID MNXM2485 reference chebi:53157 formula C35H46O global charge 0 mol weight 482.752 InChIKey FTQSFEZUHZHOAT-BRZOAGJPSA-N InChI InChI=1S/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+ 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/C=C(\C)C=O)C(C)(C)CCC1 MNX internals InChI (mnx) InChI=1/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+ SMILES (mnx) [CH3:1][C:28](=[CH:15]\[CH:9]=[CH:10]\[CH:16]=[C:29]([CH3:2])\[CH:18]=[CH:12]\[CH:21]=[C:31]([CH3:4])\[CH:24]=[CH:25]\[C:34]1=[C:33]([CH3:6])[CH2:23][CH2:14][CH2:26][C:35]1([CH3:7])[CH3:8])/[CH:17]=[CH:11]/[CH:19]=[C:30]([CH3:3])/[CH:20]=[CH:13]/[CH:22]=[C:32](\[CH3:5])[CH:27]=[O:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2