N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-(N-acetyl-beta-D-glucosaminyl-1,4)-beta-D-mannosyl-1,4-N-acetyl-beta-D-glucosaminyl-R

Properties Image MNX_ID MNXM1134865 reference metacycM:TRI-N-ACETYL-BETA-D-GLUCOSAMINYL formula C50H83N4O36* global charge 0 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1O[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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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]3NC(C)=O)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C51H86N4O36/c1-13(62)52-24-33(71)28(66)17(6-56)80-46(24)88-41-23(12-79-50-43(37(75)31(69)20(9-59)83-50)90-47-25(53-14(2)63)34(72)29(67)18(7-57)81-47)86-49(87-40-22(11-61)85-45(78-5)27(36(40)74)55-16(4)65)39(77)42(41)89-51-44(38(76)32(70)21(10-60)84-51)91-48-26(54-15(3)64)35(73)30(68)19(8-58)82-48/h17-51,56-61,66-77H,6-12H2,1-5H3,(H,52,62)(H,53,63)(H,54,64)(H,55,65)/t17-,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-/m1/s1/i5+1 SMILES (mnx) [CH3:1][C:13](=[N:52][C@@H:24]1[C@@H:33]([OH:71])[C@H:28]([OH:66])[C@@H:17]([CH2:6][OH:56])[O:80][C@H:46]1[O:88][C@@H:41]1[C@@H:23]([CH2:12][O:79][C@@H:50]2[C@@H:43]([O:90][C@H:47]3[C@H:25]([N:53]=[C:14]([CH3:2])[OH:63])[C@@H:34]([OH:72])[C@H:29]([OH:67])[C@@H:18]([CH2:7][OH:57])[O:81]3)[C@@H:37]([OH:75])[C@H:31]([OH:69])[C@@H:20]([CH2:9][OH:59])[O:83]2)[O:86][C@@H:49]([O:87][C@@H:40]2[C@@H:22]([CH2:11][OH:61])[O:85][C@@H:45]([O:78][13CH3:5])[C@H:27]([N:55]=[C:16]([CH3:4])[OH:65])[C@H:36]2[OH:74])[C@@H:39]([OH:77])[C@H:42]1[O:89][C@@H:51]1[C@@H:44]([O:91][C@H:48]2[C@H:26]([N:54]=[C:15]([CH3:3])[OH:64])[C@@H:35]([OH:73])[C@H:30]([OH:68])[C@@H:19]([CH2:8][OH:58])[O:82]2)[C@@H:38]([OH:76])[C@H:32]([OH:70])[C@@H:21]([CH2:10][OH:60])[O:84]1)[OH:62]

Parent-child relations graph

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