(Q27139593)

GlcNAcbeta1-6Galbeta1-4GlcNAcbeta (English)

alpha-D-GlcpNAc-(1->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₈N₂O₁₆

1 reference

GlcNAcbeta1-6Galbeta1-4GlcNAcbeta (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)NC(=O)C)O)O)O)O

1 reference

GlcNAcbeta1-6Galbeta1-4GlcNAcbeta (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O

1 reference

GlcNAcbeta1-6Galbeta1-4GlcNAcbeta (English)

InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)19(9(4-26)37-20(11)35)40-22-18(34)17(33)14(30)10(39-22)5-36-21-12(24-7(2)28)15(31)13(29)8(3-25)38-21/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17+,18-,19-,20-,21-,22-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

GlcNAcbeta1-6Galbeta1-4GlcNAcbeta (English)

ILSGXQJDFRRBKD-FGYPYEQSSA-N

7 October 2016

InChIKey

1 reference

GlcNAcbeta1-6Galbeta1-4GlcNAcbeta (English)

7 October 2016

1 reference

2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose (English)

7 October 2016

2 references

GlcNAcbeta1-6Galbeta1-4GlcNAcbeta (English)