N-Butanoylneuraminate

Properties Image MNX_ID MNXM168518 reference sabiorkM:18835 formula C13H23NO9 global charge 0 mol weight 337.325 InChIKey PLJCRTKLLRMFCQ-ZNKBUBFTSA-N InChI InChI=1S/C13H23NO9/c1-2-3-9(19)14-10(6(16)4-7(17)13(22)23)12(21)11(20)8(18)5-15/h6,8,10-12,15-16,18,20-21H,2-5H2,1H3,(H,14,19)(H,22,23)/t6-,8+,10+,11+,12+/m0/s1 SMILES CCCC(O)=N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CC(=O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H23NO9/c1-2-3-9(19)14-10(6(16)4-7(17)13(22)23)12(21)11(20)8(18)5-15/h6,8,10-12,15-16,18,20-21H,2-5H2,1H3,(H,14,19)(H,22,23)/t6-,8+,10+,11+,12+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][C:9](=[N:14][C@H:10]([C@H:6]([CH2:4][C:7]([C:13]([OH:22])=[O:23])=[O:17])[OH:16])[C@H:12]([C@@H:11]([C@@H:8]([CH2:5][OH:15])[OH:18])[OH:20])[OH:21])[OH:19]

Parent-child relations graph

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