streptothricin F acid

Properties Image MNX_ID MNXM5301 reference chebi:60838 formula C19H39N8O9 global charge 3 mol weight 523.568 InChIKey AJUBASUIRHJEOK-AQLSXGMYSA-Q InChI InChI=1S/C19H36N8O9/c20-3-1-2-7(22)4-10(30)24-13-14(31)15(36-18(23)34)9(6-28)35-16(13)27-19-25-11(8(29)5-21)12(26-19)17(32)33/h7-9,11-16,28-29,31H,1-6,20-22H2,(H2,23,34)(H,24,30)(H,32,33)(H2,25,26,27)/p+3/t7-,8+,9+,11+,12-,13+,14-,15-,16+/m0/s1 SMILES NC(=O)O[C@@H]1[C@@H](O)[C@@H](NC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](/[NH+]=C2\N[C@H]([C@H](O)C[NH3+])[C@@H](C(=O)[O-])N2)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C19H36N8O9/c20-3-1-2-7(22)4-10(30)24-13-14(31)15(36-18(23)34)9(6-28)35-16(13)27-19-25-11(8(29)5-21)12(26-19)17(32)33/h7-9,11-16,28-29,31H,1-6,20-22H2,(H2,23,34)(H,24,30)(H,32,33)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,16+/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C@@H:7]([CH2:4][C:10](=[N:24][C@@H:13]1[C@H:14]([OH:31])[C@@H:15]([O:36][C:18](=[NH:23])[OH:34])[C@@H:9]([CH2:6][OH:28])[O:35][C@H:16]1[NH:27][C:19]1=[N:25][C@H:11]([C@@H:8]([CH2:5][NH2:21])[OH:29])[C@@H:12]([C:17](=[O:32])[OH:33])[NH:26]1)[OH:30])[NH2:22])[CH2:3][NH2:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0