beta-D-galactosyl-chenodeoxycholate

Properties Image Occurences in reactions MNX_ID MNXM167288 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C30H50O9 charge 0 mass 554.34548 reference metacycM:CPD-19690 InChIKey BRTVMMVBEPKHFJ-QJQBQIMMSA-N InChI InChI=1S/C30H50O9/c1-15(4-7-23(34)39-28-27(37)26(36)25(35)22(14-31)38-28)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(32)12-16(29)13-21(24)33/h15-22,24-28,31-33,35-37H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25+,26+,27-,28+,29+,30-/m1/s1 SMILES C[C@H](CCC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph