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

Properties Image MNX_ID MNXM119744 reference chebi:157504 formula C25H42N2O20 global charge 0 mol weight 690.605 InChIKey KMBOIMJYMGOHLU-AJRMQMDASA-N InChI InChI=1S/C25H42N2O20/c1-7(31)26-14-17(37)20(10(4-29)44-22(14)40)46-23-19(39)18(38)16(36)11(45-23)6-43-25(24(41)42)2-8(32)13(27-12(34)5-30)21(47-25)15(35)9(33)3-28/h8-11,13-23,28-30,32-33,35-40H,2-6H2,1H3,(H,26,31)(H,27,34)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25-/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C25H42N2O20/c1-7(31)26-14-17(37)20(10(4-29)44-22(14)40)46-23-19(39)18(38)16(36)11(45-23)6-43-25(24(41)42)2-8(32)13(27-12(34)5-30)21(47-25)15(35)9(33)3-28/h8-11,13-23,28-30,32-33,35-40H,2-6H2,1H3,(H,26,31)(H,27,34)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25-/m0/s1 SMILES (mnx) [CH3:1][C:7](=[N:26][C@@H:14]1[C@@H:17]([OH:37])[C@H:20]([O:46][C@H:23]2[C@H:19]([OH:39])[C@@H:18]([OH:38])[C@@H:16]([OH:36])[C@@H:11]([CH2:6][O:43][C@@:25]3([C:24](=[O:41])[OH:42])[CH2:2][C@H:8]([OH:32])[C@@H:13]([N:27]=[C:12]([CH2:5][OH:30])[OH:34])[C@H:21]([C@@H:15]([C@@H:9]([CH2:3][OH:28])[OH:33])[OH:35])[O:47]3)[O:45]2)[C@@H:10]([CH2:4][OH:29])[O:44][C@H:22]1[OH:40])[OH:31]

Parent-child relations graph

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