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

Properties Image MNX_ID MNXM1112853 reference chebi:146856 formula C46H78N2O35 global charge 0 mol weight 1219.109 InChIKey MCFHBVNWPGIKOX-YFPIDERZSA-N InChI InChI=1S/C46H78N2O35/c1-10-36(80-44-32(66)28(62)22(56)14(5-50)76-44)30(64)34(68)42(73-10)72-9-18-38(25(59)19(40(70)74-18)47-11(2)53)81-41-20(48-12(3)54)26(60)37(16(7-52)78-41)82-46-35(69)39(83-45-33(67)29(63)23(57)15(6-51)77-45)24(58)17(79-46)8-71-43-31(65)27(61)21(55)13(4-49)75-43/h10,13-46,49-52,55-70H,4-9H2,1-3H3,(H,47,53)(H,48,54)/t10-,13+,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](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](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)O[C@H]1O MNX internals InChI (mnx) InChI=1/C46H78N2O35/c1-10-36(80-44-32(66)28(62)22(56)14(5-50)76-44)30(64)34(68)42(73-10)72-9-18-38(25(59)19(40(70)74-18)47-11(2)53)81-41-20(48-12(3)54)26(60)37(16(7-52)78-41)82-46-35(69)39(83-45-33(67)29(63)23(57)15(6-51)77-45)24(58)17(79-46)8-71-43-31(65)27(61)21(55)13(4-49)75-43/h10,13-46,49-52,55-70H,4-9H2,1-3H3,(H,47,53)(H,48,54)/t10-,13+,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@H:10]1[C@@H:36]([O:80][C@H:44]2[C@H:32]([OH:66])[C@@H:28]([OH:62])[C@@H:22]([OH:56])[C@@H:14]([CH2:5][OH:50])[O:76]2)[C@@H:30]([OH:64])[C@H:34]([OH:68])[C@H:42]([O:72][CH2:9][C@@H:18]2[C@@H:38]([O:81][C@H:41]3[C@H:20]([N:48]=[C:12]([CH3:3])[OH:54])[C@@H:26]([OH:60])[C@H:37]([O:82][C@H:46]4[C@@H:35]([OH:69])[C@@H:39]([O:83][C@@H:45]5[C@@H:33]([OH:67])[C@@H:29]([OH:63])[C@H:23]([OH:57])[C@@H:15]([CH2:6][OH:51])[O:77]5)[C@H:24]([OH:58])[C@@H:17]([CH2:8][O:71][C@@H:43]5[C@@H:31]([OH:65])[C@@H:27]([OH:61])[C@H:21]([OH:55])[C@@H:13]([CH2:4][OH:49])[O:75]5)[O:79]4)[C@@H:16]([CH2:7][OH:52])[O:78]3)[C@H:25]([OH:59])[C@@H:19]([N:47]=[C:11]([CH3:2])[OH:53])[C@H:40]([OH:70])[O:74]2)[O:73]1

Parent-child relations graph

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