C8-beta-glucuronosyl-bilirubin-IX alpha

Properties Image Occurences in reactions MNX_ID MNXM1100731 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C39H42N4O12 charge -2 mass 758.28102 reference metacycM:CPD-20932 InChIKey QLJNQGIWNAYLCS-BSQFLWIKSA-L InChI InChI=1S/C39H44N4O12/c1-7-20-19(6)36(49)43-27(20)14-25-18(5)23(10-12-31(46)54-34-32(47)35(38(51)52)55-39(53)33(34)48)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(50)42-26/h7-8,13-14,32-35,39-41,47-48,53H,1-2,9-12,15H2,3-6H3,(H,42,50)(H,43,49)(H,44,45)(H,51,52)/p-2/b26-13-,27-14-/t32-,33+,34-,35-,39+/m0/s1 SMILES C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O[C@H]3[C@H](O)[C@@H](C(=O)[O-])O[C@@H](O)[C@@H]3O)c(CCC(=O)[O-])c2C)NC1=O

Parent-child relations graph

Deprecated MNXref IDs graph