3-O-Ac-alpha-D-GalpANAc-(1->4)-3-O-Ac-alpha-D-GalpANAc

Properties Image MNX_ID MNXM36698 reference chebi:64179 formula C20H28N2O15 global charge 0 mol weight 536.443 InChIKey ZKHOBQRRCAJVAX-DZGFSUOXSA-N InChI InChI=1S/C20H28N2O15/c1-5(23)21-9-13(34-8(4)26)15(16(18(30)31)35-19(9)32)37-20-10(22-6(2)24)12(33-7(3)25)11(27)14(36-20)17(28)29/h9-16,19-20,27,32H,1-4H3,(H,21,23)(H,22,24)(H,28,29)(H,30,31)/t9-,10-,11-,12-,13-,14+,15-,16+,19+,20-/m1/s1 SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](OC(C)=O)[C@H]2NC(C)=O)[C@@H](C(=O)O)O[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H28N2O15/c1-5(23)21-9-13(34-8(4)26)15(16(18(30)31)35-19(9)32)37-20-10(22-6(2)24)12(33-7(3)25)11(27)14(36-20)17(28)29/h9-16,19-20,27,32H,1-4H3,(H,21,23)(H,22,24)(H,28,29)(H,30,31)/t9-,10-,11-,12-,13-,14+,15-,16+,19+,20-/m1/s1 SMILES (mnx) [CH3:1][C:5](=[N:21][C@@H:9]1[C@@H:13]([O:34][C:8]([CH3:4])=[O:26])[C@@H:15]([O:37][C@@H:20]2[C@H:10]([N:22]=[C:6]([CH3:2])[OH:24])[C@@H:12]([O:33][C:7]([CH3:3])=[O:25])[C@@H:11]([OH:27])[C@@H:14]([C:17](=[O:28])[OH:29])[O:36]2)[C@@H:16]([C:18](=[O:30])[OH:31])[O:35][C@@H:19]1[OH:32])[OH:23]

Parent-child relations graph

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