alpha-KDN-(2->6)-beta-D-Galp-(1->4)-D-GlcpNAc

Properties Image MNX_ID MNXM102556 reference chebi:71444 formula C23H39NO19 global charge 0 mol weight 633.553 InChIKey RTFNKGDEJCVTBF-UMDFHDSISA-N InChI InChI=1S/C23H39NO19/c1-6(27)24-11-15(33)18(9(4-26)40-20(11)36)42-21-17(35)16(34)14(32)10(41-21)5-39-23(22(37)38)2-7(28)12(30)19(43-23)13(31)8(29)3-25/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(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]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C23H39NO19/c1-6(27)24-11-15(33)18(9(4-26)40-20(11)36)42-21-17(35)16(34)14(32)10(41-21)5-39-23(22(37)38)2-7(28)12(30)19(43-23)13(31)8(29)3-25/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(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:33])[C@H:18]([O:42][C@H:21]2[C@H:17]([OH:35])[C@@H:16]([OH:34])[C@@H:14]([OH:32])[C@@H:10]([CH2:5][O:39][C@:23]3([C:22](=[O:37])[OH:38])[CH2:2][C@H:7]([OH:28])[C@@H:12]([OH:30])[C@H:19]([C@@H:13]([C@@H:8]([CH2:3][OH:25])[OH:29])[OH:31])[O:43]3)[O:41]2)[C@@H:9]([CH2:4][OH:26])[O:40][CH:20]1[OH:36])[OH:27]

Parent-child relations graph

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