an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-beta-D-glucosaminyl-R

Properties Image MNX_ID MNXM1134799 reference metacycM:Sial-23-Gal-13-Sial-16-GlcN-R formula C36H56N3O27* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1O[C@H](CO[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H]1NC(C)=O MNX internals InChI (mnx) InChI=1/C37H61N3O27/c1-11(44)38-20-14(47)5-36(34(56)57,65-29(20)23(51)16(49)7-41)61-10-19-26(54)28(22(40-13(3)46)32(60-4)63-19)64-33-27(55)31(25(53)18(9-43)62-33)67-37(35(58)59)6-15(48)21(39-12(2)45)30(66-37)24(52)17(50)8-42/h14-33,41-43,47-55H,5-10H2,1-4H3,(H,38,44)(H,39,45)(H,40,46)(H,56,57)(H,58,59)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31-,32+,33-,36+,37-/m0/s1/i4+1 SMILES (mnx) [CH3:1][C:11](=[N:38][C@@H:20]1[C@@H:14]([OH:47])[CH2:5][C@@:36]([C:34](=[O:56])[OH:57])([O:61][CH2:10][C@@H:19]2[C@@H:26]([OH:54])[C@H:28]([O:64][C@H:33]3[C@H:27]([OH:55])[C@@H:31]([O:67][C@:37]4([C:35](=[O:58])[OH:59])[CH2:6][C@H:15]([OH:48])[C@@H:21]([N:39]=[C:12]([CH3:2])[OH:45])[C@H:30]([C@@H:24]([C@@H:17]([CH2:8][OH:42])[OH:50])[OH:52])[O:66]4)[C@@H:25]([OH:53])[C@@H:18]([CH2:9][OH:43])[O:62]3)[C@@H:22]([N:40]=[C:13]([CH3:3])[OH:46])[C@H:32]([O:60][13CH3:4])[O:63]2)[O:65][C@H:29]1[C@@H:23]([C@@H:16]([CH2:7][OH:41])[OH:49])[OH:51])[OH:44]

Parent-child relations graph

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