N-acetyl-beta-neuraminate 9-phosphate

Properties Image MNX_ID MNXM1104151 reference metacycM:N-ACETYL-NEURAMINATE-9P formula C11H17NO12P global charge -3 mol weight 386.226 InChIKey SQMNIXJSBCSNCI-PFQGKNLYSA-K InChI InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/p-3/t5-,6+,7+,8+,9+,11-/m0/s1 SMILES CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)COP(=O)([O-])[O-])O[C@](O)(C(=O)[O-])C[C@@H]1O MNX internals InChI (mnx) InChI=1/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6+,7+,8+,9+,11-/m0/s1 SMILES (mnx) [CH3:1][C:4](=[N:12][C@@H:7]1[C@@H:5]([OH:14])[CH2:2][C@:11]([C:10](=[O:17])[OH:18])([OH:19])[O:24][C@H:9]1[C@@H:8]([C@@H:6]([CH2:3][O:23][P:25]([OH:20])([OH:21])=[O:22])[OH:15])[OH:16])[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 4