6'-Sialyllactosamine

Properties Image MNX_ID MNXM118336 reference hmdb:HMDB0041621 formula C23H40N2O18 global charge 0 mol weight 632.569 InChIKey KNCBIECJUBQYDY-GIGDJUIZSA-N InChI InChI=1S/C23H40N2O18/c1-7(29)25-13-9(30)2-23(22(38)39,43-20(13)15(34)10(31)4-27)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-28)14(33)8(24)3-26/h3,8-21,27-28,30-37H,2,4-6,24H2,1H3,(H,25,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1 SMILES CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C23H40N2O18/c1-7(29)25-13-9(30)2-23(22(38)39,43-20(13)15(34)10(31)4-27)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-28)14(33)8(24)3-26/h3,8-21,27-28,30-37H,2,4-6,24H2,1H3,(H,25,29)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1 SMILES (mnx) [CH3:1][C:7](=[N:25][C@@H:13]1[C@@H:9]([OH:30])[CH2:2][C@@:23]([C:22](=[O:38])[OH:39])([O:40][CH2:6][C@@H:12]2[C@H:16]([OH:35])[C@H:17]([OH:36])[C@@H:18]([OH:37])[C@H:21]([O:42][C@H:19]([C@@H:11]([CH2:5][OH:28])[OH:32])[C@@H:14]([C@H:8]([CH:3]=[O:26])[NH2:24])[OH:33])[O:41]2)[O:43][C@H:20]1[C@@H:15]([C@@H:10]([CH2:4][OH:27])[OH:31])[OH:34])[OH:29]

Parent-child relations graph

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