(Q27139482)

GlcNAcalpha1-4Galbeta1-3GalNAc (English)

7 October 2016

chemical formula

C₂₂H₃₈N₂O₁₆

1 reference

GlcNAcalpha1-4Galbeta1-3GalNAc (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)O)OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)CO)O)O

1 reference

GlcNAcalpha1-4Galbeta1-3GalNAc (English)

7 October 2016

isomeric SMILES

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

1 reference

GlcNAcalpha1-4Galbeta1-3GalNAc (English)

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

7 October 2016

Identifiers

InChI

1 reference

GlcNAcalpha1-4Galbeta1-3GalNAc (English)

HMTGZRFHWKZHAH-DOUGQDMVSA-N

7 October 2016

InChIKey

2 references

GlcNAcalpha1-4Galbeta1-3GalNAc (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranose (English)

7 October 2016

2 references

GlcNAcalpha1-4Galbeta1-3GalNAc (English)

matched by identifier from

7 October 2016

InChIKey

HMTGZRFHWKZHAH-DOUGQDMVSA-N

ChEBI ID

71270

mapping relation type

2 references

alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->3)-D-GalpNAc (English)