alpha-KDN-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

Properties Image MNX_ID MNXM102554 reference chebi:71442 formula C23H39NO19 global charge 0 mol weight 633.553 InChIKey OULFZWZIXAZQFW-DITYXJKISA-N InChI InChI=1S/C23H39NO19/c1-6(28)24-11-15(34)17(10(5-27)39-20(11)36)41-21-16(35)19(14(33)9(4-26)40-21)43-23(22(37)38)2-7(29)12(31)18(42-23)13(32)8(30)3-25/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,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](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C23H39NO19/c1-6(28)24-11-15(34)17(10(5-27)39-20(11)36)41-21-16(35)19(14(33)9(4-26)40-21)43-23(22(37)38)2-7(29)12(31)18(42-23)13(32)8(30)3-25/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17+,18+,19-,20+,21-,23-/m0/s1 SMILES (mnx) [CH3:1][C:6](=[N:24][C@@H:11]1[C@@H:15]([OH:34])[C@H:17]([O:41][C@H:21]2[C@H:16]([OH:35])[C@@H:19]([O:43][C@:23]3([C:22](=[O:37])[OH:38])[CH2:2][C@H:7]([OH:29])[C@@H:12]([OH:31])[C@H:18]([C@@H:13]([C@@H:8]([CH2:3][OH:25])[OH:30])[OH:32])[O:42]3)[C@@H:14]([OH:33])[C@@H:9]([CH2:4][OH:26])[O:40]2)[C@@H:10]([CH2:5][OH:27])[O:39][C@H:20]1[OH:36])[OH:28]

Parent-child relations graph

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