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

Properties Image MNX_ID MNXM1112633 reference chebi:146568 formula C58H97N5O41 global charge 0 mol weight 1520.408 InChIKey WXEVIHYPGWRJMB-KAHPATHKSA-N InChI InChI=1S/C58H97N5O41/c1-14(71)59-27-38(82)32(76)19(6-64)92-53(27)103-49-36(80)23(10-68)95-57(43(49)87)102-48-31(63-18(5)75)55(93-22(9-67)35(48)79)104-50-37(81)26(13-90-52-28(60-15(2)72)39(83)45(24(11-69)96-52)99-56-42(86)41(85)33(77)20(7-65)94-56)98-58(44(50)88)100-46-25(12-70)97-54(29(40(46)84)61-16(3)73)101-47-30(62-17(4)74)51(89)91-21(8-66)34(47)78/h19-58,64-70,76-89H,6-13H2,1-5H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49+,50+,51?,52-,53-,54+,55+,56+,57+,58+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4NC(C)=O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[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/C58H97N5O41/c1-14(71)59-27-38(82)32(76)19(6-64)92-53(27)103-49-36(80)23(10-68)95-57(43(49)87)102-48-31(63-18(5)75)55(93-22(9-67)35(48)79)104-50-37(81)26(13-90-52-28(60-15(2)72)39(83)45(24(11-69)96-52)99-56-42(86)41(85)33(77)20(7-65)94-56)98-58(44(50)88)100-46-25(12-70)97-54(29(40(46)84)61-16(3)73)101-47-30(62-17(4)74)51(89)91-21(8-66)34(47)78/h19-58,64-70,76-89H,6-13H2,1-5H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49+,50+,51?,52-,53-,54+,55+,56+,57+,58+/m1/s1 SMILES (mnx) [CH3:1][C:14](=[N:59][C@@H:27]1[C@@H:38]([OH:82])[C@@H:32]([OH:76])[C@@H:19]([CH2:6][OH:64])[O:92][C@@H:53]1[O:103][C@H:49]1[C@@H:36]([OH:80])[C@@H:23]([CH2:10][OH:68])[O:95][C@@H:57]([O:102][C@@H:48]2[C@@H:31]([N:63]=[C:18]([CH3:5])[OH:75])[C@H:55]([O:104][C@H:50]3[C@@H:37]([OH:81])[C@@H:26]([CH2:13][O:90][C@H:52]4[C@H:28]([N:60]=[C:15]([CH3:2])[OH:72])[C@@H:39]([OH:83])[C@H:45]([O:99][C@H:56]5[C@H:42]([OH:86])[C@@H:41]([OH:85])[C@@H:33]([OH:77])[C@@H:20]([CH2:7][OH:65])[O:94]5)[C@@H:24]([CH2:11][OH:69])[O:96]4)[O:98][C@@H:58]([O:100][C@@H:46]4[C@@H:25]([CH2:12][OH:70])[O:97][C@@H:54]([O:101][C@@H:47]5[C@@H:30]([N:62]=[C:17]([CH3:4])[OH:74])[CH:51]([OH:89])[O:91][C@H:21]([CH2:8][OH:66])[C@@H:34]5[OH:78])[C@H:29]([N:61]=[C:16]([CH3:3])[OH:73])[C@H:40]4[OH:84])[C@@H:44]3[OH:88])[O:93][C@H:22]([CH2:9][OH:67])[C@H:35]2[OH:79])[C@@H:43]1[OH:87])[OH:71]

Parent-child relations graph

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