3-Hydroxymethyl ceph-3-em-4-carboxylate

Properties Image MNX_ID MNXM10032 reference keggC:C04448 formula C9H8N2O5S*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@]1([*])C(=O)N2C(C(=O)O)=C(CO)CSC21 MNX internals InChI (mnx) InChI=1/C11H14N2O5S/c1-5(15)12-11(2)9(18)13-7(8(16)17)6(3-14)4-19-10(11)13/h10,14H,3-4H2,1-2H3,(H,12,15)(H,16,17)/t10?,11-/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:5](=[N:12][C@:11]1([13CH3:2])[C:9](=[O:18])[N:13]2[C:7]([C:8](=[O:16])[OH:17])=[C:6]([CH2:3][OH:14])[CH2:4][S:19][CH:10]12)[OH:15]

Parent-child relations graph

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