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

Properties Image MNX_ID MNXM1112802 reference chebi:146791 formula C48H81N3O36 global charge 0 mol weight 1276.161 InChIKey JWYVEHIHTCENJN-AFDJYVBWSA-N InChI InChI=1S/C48H81N3O36/c1-11(57)49-21-28(64)38(16(6-54)77-42(21)74)84-43-22(50-12(2)58)29(65)39(17(7-55)80-43)85-47-37(73)33(69)27(63)20(83-47)10-76-48-41(34(70)25(61)15(5-53)79-48)87-44-23(51-13(3)59)30(66)40(18(8-56)81-44)86-46-36(72)32(68)26(62)19(82-46)9-75-45-35(71)31(67)24(60)14(4-52)78-45/h14-48,52-56,60-74H,4-10H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)/t14-,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-,41+,42-,43+,44+,45-,46+,47+,48+/m1/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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C48H81N3O36/c1-11(57)49-21-28(64)38(16(6-54)77-42(21)74)84-43-22(50-12(2)58)29(65)39(17(7-55)80-43)85-47-37(73)33(69)27(63)20(83-47)10-76-48-41(34(70)25(61)15(5-53)79-48)87-44-23(51-13(3)59)30(66)40(18(8-56)81-44)86-46-36(72)32(68)26(62)19(82-46)9-75-45-35(71)31(67)24(60)14(4-52)78-45/h14-48,52-56,60-74H,4-10H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)/t14-,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-,41+,42-,43+,44+,45-,46+,47+,48+/m1/s1 SMILES (mnx) [CH3:1][C:11](=[N:49][C@@H:21]1[C@@H:28]([OH:64])[C@H:38]([O:84][C@H:43]2[C@H:22]([N:50]=[C:12]([CH3:2])[OH:58])[C@@H:29]([OH:65])[C@H:39]([O:85][C@H:47]3[C@@H:37]([OH:73])[C@@H:33]([OH:69])[C@H:27]([OH:63])[C@@H:20]([CH2:10][O:76][C@@H:48]4[C@@H:41]([O:87][C@H:44]5[C@H:23]([N:51]=[C:13]([CH3:3])[OH:59])[C@@H:30]([OH:66])[C@H:40]([O:86][C@H:46]6[C@H:36]([OH:72])[C@@H:32]([OH:68])[C@@H:26]([OH:62])[C@@H:19]([CH2:9][O:75][C@H:45]7[C@H:35]([OH:71])[C@@H:31]([OH:67])[C@@H:24]([OH:60])[C@@H:14]([CH2:4][OH:52])[O:78]7)[O:82]6)[C@@H:18]([CH2:8][OH:56])[O:81]5)[C@@H:34]([OH:70])[C@H:25]([OH:61])[C@@H:15]([CH2:5][OH:53])[O:79]4)[O:83]3)[C@@H:17]([CH2:7][OH:55])[O:80]2)[C@@H:16]([CH2:6][OH:54])[O:77][C@H:42]1[OH:74])[OH:57]

Parent-child relations graph

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