Desacetylcefotaxime

Properties Image MNX_ID MNXM124309 reference hmdb:HMDB0041868 formula C14H15N5O6S2 global charge 0 mol weight 413.437 InChIKey FHYWAOQGXIZAAF-GHXIOONMSA-N InChI InChI=1S/C14H15N5O6S2/c1-25-18-7(6-4-27-14(15)16-6)10(21)17-8-11(22)19-9(13(23)24)5(2-20)3-26-12(8)19/h4,8,12,20H,2-3H2,1H3,(H2,15,16)(H,17,21)(H,23,24)/b18-7-/t8-,12-/m1/s1 SMILES CO/N=C(/C1=CSC(=N)N1)C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12 MNX internals InChI (mnx) InChI=1/C14H15N5O6S2/c1-25-18-7(6-4-27-14(15)16-6)10(21)17-8-11(22)19-9(13(23)24)5(2-20)3-26-12(8)19/h4,8,12,20H,2-3H2,1H3,(H2,15,16)(H,17,21)(H,23,24)/b18-7-/t8-,12-/m1/s1 SMILES (mnx) [CH3:1][O:25]/[N:18]=[C:7]([C:6]1=[CH:4][S:27][C:14](=[NH:15])[NH:16]1)\[C:10](=[N:17]\[C@@H:8]1[C:11](=[O:22])[N:19]2[C:9]([C:13](=[O:23])[OH:24])=[C:5]([CH2:2][OH:20])[CH2:3][S:26][C@H:12]12)[OH:21]

Parent-child relations graph

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