N-Pentanoylneuraminate

Properties Image MNX_ID MNXM168585 reference sabiorkM:18842 formula C14H25NO9 global charge 0 mol weight 351.352 InChIKey AILBVAFDXHCIDV-OZNCUSTMSA-N InChI InChI=1S/C14H25NO9/c1-2-3-4-10(20)15-11(7(17)5-8(18)14(23)24)13(22)12(21)9(19)6-16/h7,9,11-13,16-17,19,21-22H,2-6H2,1H3,(H,15,20)(H,23,24)/t7-,9+,11+,12+,13+/m0/s1 SMILES CCCCC(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/C14H25NO9/c1-2-3-4-10(20)15-11(7(17)5-8(18)14(23)24)13(22)12(21)9(19)6-16/h7,9,11-13,16-17,19,21-22H,2-6H2,1H3,(H,15,20)(H,23,24)/t7-,9+,11+,12+,13+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][C:10](=[N:15][C@H:11]([C@H:7]([CH2:5][C:8]([C:14]([OH:23])=[O:24])=[O:18])[OH:17])[C@H:13]([C@@H:12]([C@@H:9]([CH2:6][OH:16])[OH:19])[OH:21])[OH:22])[OH:20]

Parent-child relations graph

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