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

didehydrodemethylaltemicidin

Properties Image MNX_ID MNXM1412131 reference chebi:232321 formula C12H15N4O7S global charge -1 mol weight 359.34 InChIKey FYYVDELGYUOOSH-HIFLKKFUSA-M InChI InChI=1S/C12H16N4O7S/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/h2-3,5,7-8,17H,1,4H2,(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=CN=C[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/C12H16N4O7S/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/h2-3,5,7-8,17H,1,4H2,(H2,13,19)(H,16,18)(H,20,21)(H2,14,22,23)/t5-,7+,8-,12+/m0/s1 SMILES (mnx) [CH:1]1=[SH:24][O:23]=[O:19]([O:20]([OH:21])=[O:22])[C@H:3]2[C@H:2]1[C@@:7]([C:8](=[CH2:9])[CH3:10])([CH2:11][C:12]([NH:13][N:14]([NH2:15])(=[NH:16])=[O:17])=[O:18])[C@H:5]([CH3:6])[CH2:4]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:232321 chebi:232321 FYYVDELGYUOOSH-HIFLKKFUSA-M	didehydrodemethylaltemicidin