(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Properties Image MNX_ID MNXM1112679 reference chebi:146627 formula C25H42N2O19 global charge 0 mol weight 674.606 InChIKey GVXWGQLSDZJHFY-BQUSKDIJSA-N InChI InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19-,20+,21-,22?,23-,25-/m0/s1 SMILES CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](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(O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19-,20+,21-,22?,23-,25-/m0/s1 SMILES (mnx) [CH3:1][C:7](=[N:26][C@@H:13]1[C@@H:9]([OH:33])[CH2:3][C@@:25]([C:24](=[O:40])[OH:41])([O:46][C@H:21]2[C@@H:16]([OH:36])[C@@H:11]([CH2:5][OH:29])[O:43][C@@H:23]([O:44][C@H:19]3[C@@H:12]([CH2:6][OH:30])[O:42][CH:22]([OH:39])[C@H:14]([N:27]=[C:8]([CH3:2])[OH:32])[C@H:17]3[OH:37])[C@@H:18]2[OH:38])[O:45][C@H:20]1[C@@H:15]([C@@H:10]([CH2:4][OH:28])[OH:34])[OH:35])[OH:31]

Parent-child relations graph

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