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

Properties Image MNX_ID MNXM1107677 reference chebi:151801 formula C48H80N6O31 global charge 0 mol weight 1237.179 InChIKey GVTXKCFKWGVHBK-SDEUBOORSA-N InChI InChI=1S/C48H80N6O31/c1-13(61)49-25-33(69)38(20(8-56)75-43(25)74)81-45-27(51-15(3)63)35(71)40(22(10-58)77-45)83-47-29(53-17(5)65)37(73)42(24(12-60)79-47)85-48-30(54-18(6)66)36(72)41(23(11-59)80-48)84-46-28(52-16(4)64)34(70)39(21(9-57)78-46)82-44-26(50-14(2)62)32(68)31(67)19(7-55)76-44/h19-48,55-60,67-74H,7-12H2,1-6H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)/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+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C48H80N6O31/c1-13(61)49-25-33(69)38(20(8-56)75-43(25)74)81-45-27(51-15(3)63)35(71)40(22(10-58)77-45)83-47-29(53-17(5)65)37(73)42(24(12-60)79-47)85-48-30(54-18(6)66)36(72)41(23(11-59)80-48)84-46-28(52-16(4)64)34(70)39(21(9-57)78-46)82-44-26(50-14(2)62)32(68)31(67)19(7-55)76-44/h19-48,55-60,67-74H,7-12H2,1-6H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)/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+/m1/s1 SMILES (mnx) [CH3:1][C:13](=[N:49][C@@H:25]1[C@@H:33]([OH:69])[C@H:38]([O:81][C@H:45]2[C@H:27]([N:51]=[C:15]([CH3:3])[OH:63])[C@@H:35]([OH:71])[C@H:40]([O:83][C@H:47]3[C@H:29]([N:53]=[C:17]([CH3:5])[OH:65])[C@@H:37]([OH:73])[C@H:42]([O:85][C@H:48]4[C@H:30]([N:54]=[C:18]([CH3:6])[OH:66])[C@@H:36]([OH:72])[C@H:41]([O:84][C@H:46]5[C@H:28]([N:52]=[C:16]([CH3:4])[OH:64])[C@@H:34]([OH:70])[C@H:39]([O:82][C@H:44]6[C@H:26]([N:50]=[C:14]([CH3:2])[OH:62])[C@@H:32]([OH:68])[C@H:31]([OH:67])[C@@H:19]([CH2:7][OH:55])[O:76]6)[C@@H:21]([CH2:9][OH:57])[O:78]5)[C@@H:23]([CH2:11][OH:59])[O:80]4)[C@@H:24]([CH2:12][OH:60])[O:79]3)[C@@H:22]([CH2:10][OH:58])[O:77]2)[C@@H:20]([CH2:8][OH:56])[O:75][CH:43]1[OH:74])[OH:61]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0