N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Properties Image MNX_ID MNXM1112832 reference chebi:146831 formula C46H80N2O36 global charge 0 mol weight 1237.124 InChIKey DKRCDVKMOFXTNL-JAOCJJQYSA-N InChI InChI=1S/C46H80N2O36/c1-11(56)47-13(3-49)22(59)36(14(58)4-50)80-41-21(48-12(2)57)28(65)37(19(9-55)78-41)81-44-35(72)38(27(64)20(79-44)10-73-42-33(70)29(66)23(60)15(5-51)74-42)82-45-40(32(69)26(63)17(7-53)76-45)84-46-39(31(68)25(62)18(8-54)77-46)83-43-34(71)30(67)24(61)16(6-52)75-43/h13-46,49-55,58-72H,3-10H2,1-2H3,(H,47,56)(H,48,57)/t13-,14+,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+/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C46H80N2O36/c1-11(56)47-13(3-49)22(59)36(14(58)4-50)80-41-21(48-12(2)57)28(65)37(19(9-55)78-41)81-44-35(72)38(27(64)20(79-44)10-73-42-33(70)29(66)23(60)15(5-51)74-42)82-45-40(32(69)26(63)17(7-53)76-45)84-46-39(31(68)25(62)18(8-54)77-46)83-43-34(71)30(67)24(61)16(6-52)75-43/h13-46,49-55,58-72H,3-10H2,1-2H3,(H,47,56)(H,48,57)/t13-,14+,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+/m0/s1 SMILES (mnx) [CH3:1][C:11](=[N:47][C@@H:13]([CH2:3][OH:49])[C@H:22]([C@@H:36]([C@@H:14]([CH2:4][OH:50])[OH:58])[O:80][C@H:41]1[C@H:21]([N:48]=[C:12]([CH3:2])[OH:57])[C@@H:28]([OH:65])[C@H:37]([O:81][C@H:44]2[C@@H:35]([OH:72])[C@@H:38]([O:82][C@@H:45]3[C@@H:40]([O:84][C@@H:46]4[C@@H:39]([O:83][C@@H:43]5[C@@H:34]([OH:71])[C@@H:30]([OH:67])[C@H:24]([OH:61])[C@@H:16]([CH2:6][OH:52])[O:75]5)[C@@H:31]([OH:68])[C@H:25]([OH:62])[C@@H:18]([CH2:8][OH:54])[O:77]4)[C@@H:32]([OH:69])[C@H:26]([OH:63])[C@@H:17]([CH2:7][OH:53])[O:76]3)[C@H:27]([OH:64])[C@@H:20]([CH2:10][O:73][C@@H:42]3[C@@H:33]([OH:70])[C@@H:29]([OH:66])[C@H:23]([OH:60])[C@@H:15]([CH2:5][OH:51])[O:74]3)[O:79]2)[C@@H:19]([CH2:9][OH:55])[O:78]1)[OH:59])[OH:56]

Parent-child relations graph

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