O-mannopyranosyl-alpha-1,3-O-mannopyranosyl-alpha-1,3-(O-mannopyranosyl-alpha-1,6)-[N-acetylglucosamine-beta-1,4-O-mannopyranosyl-alpha-1,6]-O-mannopyranosyl-beta-1,4-N-acetyl-D-glucosamine

Properties Image MNX_ID MNXM16883 reference metacycM:CPD-13941 formula C46H78N2O36 global charge 0 mol weight 1235.108 InChIKey XCINGYKKJJFVEG-MKGYADJLSA-N InChI InChI=1S/C46H78N2O36/c1-10(54)47-19-26(61)36(15(6-52)74-40(19)71)82-46-35(70)39(84-45-34(69)38(24(59)14(5-51)77-45)83-44-33(68)29(64)22(57)13(4-50)76-44)25(60)18(80-46)9-73-42-31(66)30(65)23(58)17(79-42)8-72-41-20(48-11(2)55)27(62)37(16(7-53)78-41)81-43-32(67)28(63)21(56)12(3-49)75-43/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,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+/m1/s1 SMILES CC(=O)NC1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O)C(O)[C@H](O[C@H]3O[C@H](CO)[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]2O)[C@@H](CO)O[C@@H]1O MNX internals InChI (mnx) InChI=1/C46H78N2O36/c1-10(54)47-19-26(61)36(15(6-52)74-40(19)71)82-46-35(70)39(84-45-34(69)38(24(59)14(5-51)77-45)83-44-33(68)29(64)22(57)13(4-50)76-44)25(60)18(80-46)9-73-42-31(66)30(65)23(58)17(79-42)8-72-41-20(48-11(2)55)27(62)37(16(7-53)78-41)81-43-32(67)28(63)21(56)12(3-49)75-43/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,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+/m1/s1 SMILES (mnx) [CH3:1][C:10](=[N:47][CH:19]1[C@@H:26]([OH:61])[C@H:36]([O:82][C@H:46]2[C@@H:35]([OH:70])[C@@H:39]([O:84][C@@H:45]3[C@@H:34]([OH:69])[C@@H:38]([O:83][C@@H:44]4[C@@H:33]([OH:68])[C@@H:29]([OH:64])[C@H:22]([OH:57])[C@@H:13]([CH2:4][OH:50])[O:76]4)[C@H:24]([OH:59])[C@@H:14]([CH2:5][OH:51])[O:77]3)[CH:25]([OH:60])[C@@H:18]([CH2:9][O:73][C@@H:42]3[C@@H:31]([OH:66])[C@@H:30]([OH:65])[C@H:23]([OH:58])[C@@H:17]([CH2:8][O:72][C@@H:41]4[C@H:20]([N:48]=[C:11]([CH3:2])[OH:55])[C@@H:27]([OH:62])[CH:37]([O:81][C@H:43]5[C@@H:32]([OH:67])[C@@H:28]([OH:63])[C@H:21]([OH:56])[C@@H:12]([CH2:3][OH:49])[O:75]5)[C@@H:16]([CH2:7][OH:53])[O:78]4)[O:79]3)[O:80]2)[C@@H:15]([CH2:6][OH:52])[O:74][C@@H:40]1[OH:71])[OH:54]

Parent-child relations graph

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