a CMP-N-acyl-neuraminate

Properties Image MNX_ID MNXM733195 reference metacycM:CPD-189 formula C19H26N4O16P* global charge -2 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)[O-])C[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20?/m0/s1/i1+1 SMILES (mnx) [13CH3:1][C:7](=[N:22][C@@H:12]1[C@@H:8]([OH:27])[CH2:4][C:20]([C:18](=[O:32])[OH:33])([O:40][P:41]([OH:35])(=[O:36])[O:37][CH2:6][C@@H:10]2[C@@H:14]([OH:30])[C@@H:15]([OH:31])[C@H:17]([N:24]3[CH:3]=[CH:2][C:11](=[NH:21])[N:23]=[C:19]3[OH:34])[O:38]2)[O:39][C@H:16]1[C@@H:13]([C@@H:9]([CH2:5][OH:25])[OH:28])[OH:29])[OH:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0