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

Properties Image MNX_ID MNXM1113262 reference chebi:147500 formula C36H61N3O26 global charge 0 mol weight 951.879 InChIKey BEFULTATLNSEIP-GECCDVPFSA-N InChI InChI=1S/C36H61N3O26/c1-9(44)37-17-23(50)20(47)12(4-40)59-34(17)63-30-15(7-43)62-36(28(55)26(30)53)65-31-19(39-11(3)46)32(56)58-16(22(31)49)8-57-33-18(38-10(2)45)24(51)29(14(6-42)61-33)64-35-27(54)25(52)21(48)13(5-41)60-35/h12-36,40-43,47-56H,4-8H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25+,26-,27-,28-,29-,30+,31-,32?,33-,34-,35+,36+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3O)[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/C36H61N3O26/c1-9(44)37-17-23(50)20(47)12(4-40)59-34(17)63-30-15(7-43)62-36(28(55)26(30)53)65-31-19(39-11(3)46)32(56)58-16(22(31)49)8-57-33-18(38-10(2)45)24(51)29(14(6-42)61-33)64-35-27(54)25(52)21(48)13(5-41)60-35/h12-36,40-43,47-56H,4-8H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25+,26-,27-,28-,29-,30+,31-,32?,33-,34-,35+,36+/m1/s1 SMILES (mnx) [CH3:1][C:9](=[N:37][C@@H:17]1[C@@H:23]([OH:50])[C@H:20]([OH:47])[C@@H:12]([CH2:4][OH:40])[O:59][C@@H:34]1[O:63][C@H:30]1[C@@H:15]([CH2:7][OH:43])[O:62][C@@H:36]([O:65][C@@H:31]2[C@@H:19]([N:39]=[C:11]([CH3:3])[OH:46])[CH:32]([OH:56])[O:58][C@H:16]([CH2:8][O:57][C@H:33]3[C@H:18]([N:38]=[C:10]([CH3:2])[OH:45])[C@@H:24]([OH:51])[C@H:29]([O:64][C@H:35]4[C@H:27]([OH:54])[C@@H:25]([OH:52])[C@@H:21]([OH:48])[C@@H:13]([CH2:5][OH:41])[O:60]4)[C@@H:14]([CH2:6][OH:42])[O:61]3)[C@@H:22]2[OH:49])[C@H:28]([OH:55])[C@H:26]1[OH:53])[OH:44]

Parent-child relations graph

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