(E,E)-bilirubin

Properties Image MNX_ID MNXM1105106 reference chebi:132996 formula C33H36N4O6 global charge 0 mol weight 584.673 InChIKey BPYKTIZUTYGOLE-BMNRKXRESA-N InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14+ SMILES C=CC1=C(C)/C(=C\C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/NC(=O)C(C)=C4C=C)N3)N2)NC1=O MNX internals InChI (mnx) InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14+ SMILES (mnx) [CH2:1]=[CH:7][C:20]1=[C:19]([CH3:6])[C:32]([OH:42])=[N:37]/[C:27]1=[CH:14]/[C:25]1=[C:18]([CH3:5])[C:23]([CH2:10][CH2:12][C:31](=[O:40])[OH:41])=[C:29]([CH2:15][C:28]2=[C:22]([CH2:9][CH2:11][C:30](=[O:38])[OH:39])[C:17]([CH3:4])=[C:24](/[CH:13]=[C:26]3\[C:16]([CH3:3])=[C:21]([CH:8]=[CH2:2])[C:33]([OH:43])=[N:36]3)[NH:34]2)[NH:35]1

Parent-child relations graph

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