(Q27139534)

inferred from SMILES

mass

586.222133±0 dalton

1 reference

GlcNAcbeta1-3Galbeta1-3GalNAcalpha (English)

beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-D-GlcpNAc

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

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

inferred from InChI

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₂H₃₈N₂O₁₆

1 reference

GlcNAcbeta1-3Galbeta1-3GalNAcalpha (English)

7 October 2016

canonical SMILES

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

1 reference

GlcNAcbeta1-3Galbeta1-3GalNAcalpha (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]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O)NC(=O)C)CO)O)CO)O)O

1 reference

GlcNAcbeta1-3Galbeta1-3GalNAcalpha (English)

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

GlcNAcbeta1-3Galbeta1-3GalNAcalpha (English)

UHXCBMGDLOQUHX-GJGNTVEQSA-N

7 October 2016

InChIKey

2 references

GlcNAcbeta1-3Galbeta1-3GalNAcalpha (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

2 references

GlcNAcbeta1-3Galbeta1-3GalNAcalpha (English)

matched by identifier from

7 October 2016

InChIKey

UHXCBMGDLOQUHX-GJGNTVEQSA-N

ChEBI ID

71350

mapping relation type

2 references

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