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

Properties Image MNX_ID MNXM1113298 reference chebi:147544 formula C48H83N3O34 global charge 0 mol weight 1246.179 InChIKey XVNDVHHGJITVAO-PJXVBTCXSA-N InChI InChI=1S/C48H83N3O34/c1-12-25(61)33(69)36(72)45(75-12)84-41-35(71)29(65)20(8-54)79-47(41)83-40-31(67)22(10-56)80-48(42(40)85-46-37(73)34(70)26(62)13(2)76-46)81-38(17(6-52)49-14(3)57)27(63)18(60)11-74-43-24(51-16(5)59)39(30(66)21(9-55)77-43)82-44-23(50-15(4)58)32(68)28(64)19(7-53)78-44/h12-13,17-48,52-56,60-73H,6-11H2,1-5H3,(H,49,57)(H,50,58)(H,51,59)/t12-,13-,17-,18+,19+,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-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC[C@@H](O)[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]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](CO)NC(C)=O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C48H83N3O34/c1-12-25(61)33(69)36(72)45(75-12)84-41-35(71)29(65)20(8-54)79-47(41)83-40-31(67)22(10-56)80-48(42(40)85-46-37(73)34(70)26(62)13(2)76-46)81-38(17(6-52)49-14(3)57)27(63)18(60)11-74-43-24(51-16(5)59)39(30(66)21(9-55)77-43)82-44-23(50-15(4)58)32(68)28(64)19(7-53)78-44/h12-13,17-48,52-56,60-73H,6-11H2,1-5H3,(H,49,57)(H,50,58)(H,51,59)/t12-,13-,17-,18+,19+,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-/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[C@@H:25]([OH:61])[C@@H:33]([OH:69])[C@H:36]([OH:72])[C@H:45]([O:84][C@@H:41]2[C@@H:35]([OH:71])[C@@H:29]([OH:65])[C@@H:20]([CH2:8][OH:54])[O:79][C@H:47]2[O:83][C@H:40]2[C@@H:31]([OH:67])[C@@H:22]([CH2:10][OH:56])[O:80][C@@H:48]([O:81][C@H:38]([C@H:17]([CH2:6][OH:52])[N:49]=[C:14]([CH3:3])[OH:57])[C@H:27]([C@@H:18]([CH2:11][O:74][C@H:43]3[C@H:24]([N:51]=[C:16]([CH3:5])[OH:59])[C@@H:39]([O:82][C@H:44]4[C@H:23]([N:50]=[C:15]([CH3:4])[OH:58])[C@@H:32]([OH:68])[C@H:28]([OH:64])[C@@H:19]([CH2:7][OH:53])[O:78]4)[C@H:30]([OH:66])[C@@H:21]([CH2:9][OH:55])[O:77]3)[OH:60])[OH:63])[C@@H:42]2[O:85][C@H:46]2[C@@H:37]([OH:73])[C@H:34]([OH:70])[C@H:26]([OH:62])[C@H:13]([CH3:2])[O:76]2)[O:75]1

Parent-child relations graph

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