proto-zwittermicin A

Properties Image MNX_ID MNXM165089 reference metacycM:CPD-18258 formula C19H36N8O11* global charge 1 mol weight   InChIKey   InChI   SMILES [*]CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CO)[C@@H](O)C[C@H](O)[C@H]([NH3+])[C@H](O)[C@@H](O)C(=O)N[C@@H](CNC(N)=O)C(N)=O MNX internals InChI (mnx) InChI=1/C20H38N8O11/c1-2-13(33)26-7(3-12(21)32)18(37)28-9(6-29)10(30)4-11(31)14(22)15(34)16(35)19(38)27-8(17(23)36)5-25-20(24)39/h7-11,14-16,29-31,34-35H,2-6,22H2,1H3,(H2,21,32)(H2,23,36)(H,26,33)(H,27,38)(H,28,37)(H3,24,25,39)/t7-,8-,9+,10-,11-,14-,15-,16+/m0/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:2][C:13](=[N:26][C@@H:7]([CH2:3][C:12](=[NH:21])[OH:32])[C:18](=[N:28][C@H:9]([CH2:6][OH:29])[C@H:10]([CH2:4][C@@H:11]([C@@H:14]([C@@H:15]([C@H:16]([C:19](=[N:27][C@@H:8]([CH2:5][NH:25][C:20](=[NH:24])[OH:39])[C:17](=[NH:23])[OH:36])[OH:38])[OH:35])[OH:34])[NH2:22])[OH:31])[OH:30])[OH:37])[OH:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0