echinocandin B nucleus

Properties Image Occurences in reactions MNX_ID MNXM17160 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C34H52N7O15 charge 1 mass 798.35159 reference metacycM:CPD-17775 InChIKey BLKJKIJFNJAQIZ-UMDMRRTDSA-O InChI InChI=1S/C34H51N7O15/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54)/p+1/t12-,13+,14+,17+,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,30+/m0/s1 SMILES C[C@H]1CN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c3ccc(O)cc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]([NH3+])C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph