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

Properties Image MNX_ID MNXM1113097 reference chebi:147193 formula C64H108N2O51 global charge 0 mol weight 1721.531 InChIKey DDWFSXNEKKYTQI-LDDRGTCBSA-N InChI InChI=1S/C64H108N2O51/c1-13(75)65-25-35(85)48(21(9-73)101-55(25)98)111-56-26(66-14(2)76)36(86)49(22(10-74)108-56)112-63-47(97)53(34(84)24(110-63)12-100-58-44(94)52(113-59-42(92)38(88)28(78)16(4-68)103-59)33(83)23(109-58)11-99-57-41(91)37(87)27(77)15(3-67)102-57)115-61-45(95)50(31(81)19(7-71)105-61)114-62-46(96)51(32(82)20(8-72)106-62)116-64-54(40(90)30(80)18(6-70)107-64)117-60-43(93)39(89)29(79)17(5-69)104-60/h15-64,67-74,77-98H,3-12H2,1-2H3,(H,65,75)(H,66,76)/t15-,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-,49-,50+,51+,52+,53+,54-,55-,56+,57+,58+,59-,60-,61-,62-,63+,64-/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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O MNX internals InChI (mnx) InChI=1/C64H108N2O51/c1-13(75)65-25-35(85)48(21(9-73)101-55(25)98)111-56-26(66-14(2)76)36(86)49(22(10-74)108-56)112-63-47(97)53(34(84)24(110-63)12-100-58-44(94)52(113-59-42(92)38(88)28(78)16(4-68)103-59)33(83)23(109-58)11-99-57-41(91)37(87)27(77)15(3-67)102-57)115-61-45(95)50(31(81)19(7-71)105-61)114-62-46(96)51(32(82)20(8-72)106-62)116-64-54(40(90)30(80)18(6-70)107-64)117-60-43(93)39(89)29(79)17(5-69)104-60/h15-64,67-74,77-98H,3-12H2,1-2H3,(H,65,75)(H,66,76)/t15-,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-,49-,50+,51+,52+,53+,54-,55-,56+,57+,58+,59-,60-,61-,62-,63+,64-/m1/s1 SMILES (mnx) [CH3:1][C:13](=[N:65][C@@H:25]1[C@@H:35]([OH:85])[C@H:48]([O:111][C@H:56]2[C@H:26]([N:66]=[C:14]([CH3:2])[OH:76])[C@@H:36]([OH:86])[C@H:49]([O:112][C@H:63]3[C@@H:47]([OH:97])[C@@H:53]([O:115][C@@H:61]4[C@@H:45]([OH:95])[C@@H:50]([O:114][C@@H:62]5[C@H:46]([OH:96])[C@@H:51]([O:116][C@@H:64]6[C@H:54]([O:117][C@@H:60]7[C@H:43]([OH:93])[C@@H:39]([OH:89])[C@H:29]([OH:79])[C@@H:17]([CH2:5][OH:69])[O:104]7)[C@@H:40]([OH:90])[C@H:30]([OH:80])[C@@H:18]([CH2:6][OH:70])[O:107]6)[C@H:32]([OH:82])[C@@H:20]([CH2:8][OH:72])[O:106]5)[C@H:31]([OH:81])[C@@H:19]([CH2:7][OH:71])[O:105]4)[C@H:34]([OH:84])[C@@H:24]([CH2:12][O:100][C@@H:58]4[C@@H:44]([OH:94])[C@@H:52]([O:113][C@@H:59]5[C@@H:42]([OH:92])[C@@H:38]([OH:88])[C@H:28]([OH:78])[C@@H:16]([CH2:4][OH:68])[O:103]5)[C@H:33]([OH:83])[C@@H:23]([CH2:11][O:99][C@@H:57]5[C@@H:41]([OH:91])[C@@H:37]([OH:87])[C@H:27]([OH:77])[C@@H:15]([CH2:3][OH:67])[O:102]5)[O:109]4)[O:110]3)[C@@H:22]([CH2:10][OH:74])[O:108]2)[C@@H:21]([CH2:9][OH:73])[O:101][C@H:55]1[OH:98])[OH:75]

Parent-child relations graph

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