N-Propanoylneuraminate

Properties Image MNX_ID MNXM168587 reference sabiorkM:18844 formula C12H21NO9 global charge 0 mol weight 323.298 InChIKey QZBCMZXFDLYCRV-RIZHGAQMSA-N InChI InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1 SMILES CCC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O)(C(=O)O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1 SMILES (mnx) [CH3:1][CH2:2][C:7](=[N:13][C@@H:8]1[C@@H:5]([OH:15])[CH2:3][C:12]([C:11](=[O:19])[OH:20])([OH:21])[O:22][C@H:10]1[C@@H:9]([C@@H:6]([CH2:4][OH:14])[OH:16])[OH:18])[OH:17]

Parent-child relations graph

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