N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Properties Image MNX_ID MNXM1113285 reference chebi:147528 formula C36H63N3O26 global charge 0 mol weight 953.895 InChIKey INNQYTWHVZOYLU-NMMKLEFKSA-N InChI InChI=1S/C36H63N3O26/c1-10(46)37-13(4-40)29(21(50)14(49)5-41)62-33-19(38-11(2)47)24(53)31(18(9-45)60-33)64-36-28(57)32(23(52)16(7-43)59-36)65-34-20(39-12(3)48)25(54)30(17(8-44)61-34)63-35-27(56)26(55)22(51)15(6-42)58-35/h13-36,40-45,49-57H,4-9H2,1-3H3,(H,37,46)(H,38,47)(H,39,48)/t13-,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C36H63N3O26/c1-10(46)37-13(4-40)29(21(50)14(49)5-41)62-33-19(38-11(2)47)24(53)31(18(9-45)60-33)64-36-28(57)32(23(52)16(7-43)59-36)65-34-20(39-12(3)48)25(54)30(17(8-44)61-34)63-35-27(56)26(55)22(51)15(6-42)58-35/h13-36,40-45,49-57H,4-9H2,1-3H3,(H,37,46)(H,38,47)(H,39,48)/t13-,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1 SMILES (mnx) [CH3:1][C:10](=[N:37][C@@H:13]([CH2:4][OH:40])[C@H:29]([C@H:21]([C@@H:14]([CH2:5][OH:41])[OH:49])[OH:50])[O:62][C@H:33]1[C@H:19]([N:38]=[C:11]([CH3:2])[OH:47])[C@@H:24]([OH:53])[C@H:31]([O:64][C@H:36]2[C@H:28]([OH:57])[C@@H:32]([O:65][C@H:34]3[C@H:20]([N:39]=[C:12]([CH3:3])[OH:48])[C@@H:25]([OH:54])[C@H:30]([O:63][C@H:35]4[C@H:27]([OH:56])[C@@H:26]([OH:55])[C@@H:22]([OH:51])[C@@H:15]([CH2:6][OH:42])[O:58]4)[C@@H:17]([CH2:8][OH:44])[O:61]3)[C@@H:23]([OH:52])[C@@H:16]([CH2:7][OH:43])[O:59]2)[C@@H:18]([CH2:9][OH:45])[O:60]1)[OH:46]

Parent-child relations graph

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