butirosin B

Properties Image MNX_ID MNXM10838 reference chebi:65085 formula C21H45N5O12 global charge 4 mol weight 559.614 InChIKey XEQLFNPSYWZPOW-HBYCGHPUSA-R InChI InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/p+4/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1 SMILES [NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H]1O MNX internals InChI (mnx) InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][NH2:22])[C@@H:8]([C:19](=[N:26][C@@H:7]1[CH2:3][C@H:6]([NH2:24])[C@@H:17]([O:37][C@@H:20]2[C@H:11]([NH2:25])[C@@H:15]([OH:32])[C@H:13]([OH:30])[C@@H:9]([CH2:4][NH2:23])[O:35]2)[C@H:18]([O:38][C@H:21]2[C@H:16]([OH:33])[C@H:14]([OH:31])[C@@H:10]([CH2:5][OH:27])[O:36]2)[C@H:12]1[OH:29])[OH:34])[OH:28]

Parent-child relations graph

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