**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

demethylaltemicidin

Properties Image MNX_ID MNXM1412132 reference chebi:232322 formula C12H17N4O7S global charge -1 mol weight 361.356 InChIKey KYLQAPDOAYFBOX-HIFLKKFUSA-M InChI InChI=1S/C12H18N4O7S/c13-10(19)6-2-15-3-7-5(6)1-8(17)12(7,11(20)21)16-9(18)4-24(14,22)23/h2,5,7-8,15,17H,1,3-4H2,(H2,13,19)(H,16,18)(H,20,21)(H2,14,22,23)/p-1/t5-,7+,8-,12+/m0/s1 SMILES NC(=O)C1=CNC[C@@H]2[C@H]1C[C@H](O)[C@@]2(NC(=O)CS(N)(=O)=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N4O7S/c13-10(19)6-2-15-3-7-5(6)1-8(17)12(7,11(20)21)16-9(18)4-24(14,22)23/h2,5,7-8,15,17H,1,3-4H2,(H2,13,19)(H,16,18)(H,20,21)(H2,14,22,23)/t5-,7+,8-,12+/m0/s1 SMILES (mnx) [CH2:1]1[C@H:2]2[C@@H:3]([CH2:4][C@@H:5]([CH3:6])[C@:7]2([C:8](=[CH2:9])[CH3:10])[CH2:11][C:12]([NH:13][N:14]([NH2:15])(=[NH:16])=[O:17])=[O:18])[O:19]([O:20]([OH:21])=[O:22])=[O:23][S:24]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:232322 chebi:232322 KYLQAPDOAYFBOX-HIFLKKFUSA-M	demethylaltemicidin