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

Properties Image MNX_ID MNXM1112829 reference chebi:146826 formula C40H68N2O30 global charge 0 mol weight 1056.968 InChIKey MBJUDFCXTUSNFA-CUGBCFMKSA-N InChI InChI=1S/C40H68N2O30/c1-9-19(48)25(54)28(57)37(64-9)63-8-16-33(23(52)17(35(61)65-16)41-10(2)46)70-36-18(42-11(3)47)24(53)32(14(6-45)68-36)71-40-31(60)34(72-39-30(59)27(56)21(50)13(5-44)67-39)22(51)15(69-40)7-62-38-29(58)26(55)20(49)12(4-43)66-38/h9,12-40,43-45,48-61H,4-8H2,1-3H3,(H,41,46)(H,42,47)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40+/m0/s1 SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1O MNX internals InChI (mnx) InChI=1/C40H68N2O30/c1-9-19(48)25(54)28(57)37(64-9)63-8-16-33(23(52)17(35(61)65-16)41-10(2)46)70-36-18(42-11(3)47)24(53)32(14(6-45)68-36)71-40-31(60)34(72-39-30(59)27(56)21(50)13(5-44)67-39)22(51)15(69-40)7-62-38-29(58)26(55)20(49)12(4-43)66-38/h9,12-40,43-45,48-61H,4-8H2,1-3H3,(H,41,46)(H,42,47)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40+/m0/s1 SMILES (mnx) [CH3:1][C@H:9]1[C@@H:19]([OH:48])[C@@H:25]([OH:54])[C@H:28]([OH:57])[C@@H:37]([O:63][CH2:8][C@@H:16]2[C@@H:33]([O:70][C@H:36]3[C@H:18]([N:42]=[C:11]([CH3:3])[OH:47])[C@@H:24]([OH:53])[C@H:32]([O:71][C@@H:40]4[C@@H:31]([OH:60])[C@@H:34]([O:72][C@H:39]5[C@@H:30]([OH:59])[C@@H:27]([OH:56])[C@H:21]([OH:50])[C@@H:13]([CH2:5][OH:44])[O:67]5)[C@H:22]([OH:51])[C@@H:15]([CH2:7][O:62][C@@H:38]5[C@@H:29]([OH:58])[C@@H:26]([OH:55])[C@H:20]([OH:49])[C@@H:12]([CH2:4][OH:43])[O:66]5)[O:69]4)[C@@H:14]([CH2:6][OH:45])[O:68]3)[C@H:23]([OH:52])[C@@H:17]([N:41]=[C:10]([CH3:2])[OH:46])[C@@H:35]([OH:61])[O:65]2)[O:64]1

Parent-child relations graph

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