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

Properties Image MNX_ID MNXM1112622 reference chebi:146554 formula C40H68N2O30 global charge 0 mol weight 1056.968 InChIKey RMFMBERKAVPYAQ-TUAWFPDDSA-N InChI InChI=1S/C40H68N2O30/c1-9-19(50)24(55)26(57)38(62-9)70-32-18(42-11(3)49)37(71-33-21(52)13(5-44)63-35(61)28(33)59)67-16(8-47)31(32)69-40-29(60)34(22(53)14(6-45)65-40)72-36-17(41-10(2)48)23(54)30(15(7-46)66-36)68-39-27(58)25(56)20(51)12(4-43)64-39/h9,12-40,43-47,50-61H,4-8H2,1-3H3,(H,41,48)(H,42,49)/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]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4O)O[C@@H]3CO)[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/C40H68N2O30/c1-9-19(50)24(55)26(57)38(62-9)70-32-18(42-11(3)49)37(71-33-21(52)13(5-44)63-35(61)28(33)59)67-16(8-47)31(32)69-40-29(60)34(22(53)14(6-45)65-40)72-36-17(41-10(2)48)23(54)30(15(7-46)66-36)68-39-27(58)25(56)20(51)12(4-43)64-39/h9,12-40,43-47,50-61H,4-8H2,1-3H3,(H,41,48)(H,42,49)/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:50])[C@@H:24]([OH:55])[C@H:26]([OH:57])[C@H:38]([O:70][C@@H:32]2[C@@H:18]([N:42]=[C:11]([CH3:3])[OH:49])[C@H:37]([O:71][C@H:33]3[C@@H:21]([OH:52])[C@@H:13]([CH2:5][OH:44])[O:63][CH:35]([OH:61])[C@@H:28]3[OH:59])[O:67][C@H:16]([CH2:8][OH:47])[C@H:31]2[O:69][C@H:40]2[C@H:29]([OH:60])[C@@H:34]([O:72][C@H:36]3[C@H:17]([N:41]=[C:10]([CH3:2])[OH:48])[C@@H:23]([OH:54])[C@H:30]([O:68][C@H:39]4[C@H:27]([OH:58])[C@@H:25]([OH:56])[C@@H:20]([OH:51])[C@@H:12]([CH2:4][OH:43])[O:64]4)[C@@H:15]([CH2:7][OH:46])[O:66]3)[C@@H:22]([OH:53])[C@@H:14]([CH2:6][OH:45])[O:65]2)[O:62]1

Parent-child relations graph

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