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

compound 0054122

Properties Image MNX_ID MNXM1583840 reference envipathM:...9dc26d974446 formula C16H18N3O6S global charge -1 mol weight 380.402 InChIKey VQSQSODITREYBR-NJBDSQKTSA-M InChI InChI=1S/C16H19N3O6S/c1-16(2)11(15(24)25)19-13(23)10(14(19)26-16)18-12(22)9(17)6-3-4-7(20)8(21)5-6/h3-5,9-11,14,20-21H,17H2,1-2H3,(H,18,22)(H,24,25)/p-1/t9-,10-,11+,14-/m1/s1 SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)c(O)c3)C(=O)N2[C@H]1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H19N3O6S/c1-16(2)11(15(24)25)19-13(23)10(14(19)26-16)18-12(22)9(17)6-3-4-7(20)8(21)5-6/h3-5,9-11,14,20-21H,17H2,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1 SMILES (mnx) [CH3:1][C:16]1([CH3:2])[C@H:11]([C:15](=[O:24])[OH:25])[N:19]2[C:13](=[O:23])[C@@H:10]([NH:18][C:12]([C@@H:9]([c:6]3[cH:3][cH:4][c:7]([OH:20])[c:8]([OH:21])[cH:5]3)[NH2:17])=[O:22])[C@H:14]2[S:26]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
envipath:...9dc26d974446 envipathM:...9dc26d974446 envipath:...38beef93ae20 envipathM:...38beef93ae20 VQSQSODITREYBR-NJBDSQKTSA-M	compound 0054122
vmhM:hamoxm1 vmhM:hamoxm1 vmhmetabolite:hamoxm1 vmhmetabolite:hamoxm1 VQSQSODITREYBR-NJBDSQKTSA-M	Hydroxy amoxicillin M1
vmhM:M_hamoxm1	secondary/obsolete/fantasy identifier