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

Properties Image MNX_ID MNXM1113414 reference chebi:147698 formula C27H45N3O19 global charge 0 mol weight 715.659 InChIKey HCPGSDZXPBTIBP-AXQAEHQNSA-N InChI InChI=1S/C27H45N3O19/c1-8(34)28-15-12(4-27(44,26(42)43)49-23(15)18(38)11(37)5-31)45-24-17(30-10(3)36)21(41)22(14(7-33)47-24)48-25-16(29-9(2)35)20(40)19(39)13(6-32)46-25/h11-25,31-33,37-41,44H,4-7H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)(H,42,43)/t11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,27?/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C27H45N3O19/c1-8(34)28-15-12(4-27(44,26(42)43)49-23(15)18(38)11(37)5-31)45-24-17(30-10(3)36)21(41)22(14(7-33)47-24)48-25-16(29-9(2)35)20(40)19(39)13(6-32)46-25/h11-25,31-33,37-41,44H,4-7H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)(H,42,43)/t11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,27?/m1/s1 SMILES (mnx) [CH3:1][C:8](=[N:28][C@@H:15]1[C@@H:12]([O:45][C@H:24]2[C@H:17]([N:30]=[C:10]([CH3:3])[OH:36])[C@@H:21]([OH:41])[C@H:22]([O:48][C@H:25]3[C@H:16]([N:29]=[C:9]([CH3:2])[OH:35])[C@@H:20]([OH:40])[C@H:19]([OH:39])[C@@H:13]([CH2:6][OH:32])[O:46]3)[C@@H:14]([CH2:7][OH:33])[O:47]2)[CH2:4][C:27]([C:26](=[O:42])[OH:43])([OH:44])[O:49][C@H:23]1[C@@H:18]([C@@H:11]([CH2:5][OH:31])[OH:37])[OH:38])[OH:34]

Parent-child relations graph

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