9-deoxy-9-acetamido-N-acetyl-alpha-neuraminic acid

Properties Image MNX_ID MNXM102268 reference chebi:65188 formula C13H22N2O9 global charge 0 mol weight 350.324 InChIKey VOVFDZJABRGWTQ-CTAKWSDESA-N InChI InChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8+,9+,10+,11+,13+/m0/s1 SMILES CC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8+,9+,10+,11+,13+/m0/s1 SMILES (mnx) [CH3:1][C:5](=[N:14][CH2:4][C@H:8]([C@H:10]([C@H:11]1[C@H:9]([N:15]=[C:6]([CH3:2])[OH:17])[C@@H:7]([OH:18])[CH2:3][C@@:13]([C:12](=[O:21])[OH:22])([OH:23])[O:24]1)[OH:20])[OH:19])[OH:16]

Parent-child relations graph

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