(Q27139597)

HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

chemical formula

C₁₉H₃₂N₂O₁₃

1 reference

HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

canonical SMILES

CC(C(=O)O)OC1C(C(OC(C1O)CO)OC2C(OC(C(C2O)NC(=O)C)O)CO)NC(=O)C

1 reference

HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

isomeric SMILES

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

1 reference

HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta (English)

InChI=1S/C19H32N2O13/c1-6(17(28)29)31-16-12(21-8(3)25)19(33-9(4-22)13(16)26)34-15-10(5-23)32-18(30)11(14(15)27)20-7(2)24/h6,9-16,18-19,22-23,26-27,30H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/t6?,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta (English)

SJKBAJLKHOPUHW-NHFRPMDVSA-N

7 October 2016

InChIKey

2 references

HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Acetamido-4-O-[2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranose (English)

7 October 2016

1 reference

HOOC(CH3)CH-3-O-GlcNAcbeta1-4GlcNAcbeta (English)

7 October 2016

ChEBI ID

71424

mapping relation type

1 reference

Immune Epitope Database and Analysis Resource

beta-D-Glcp3(1-carboxyEt)NAc-(1->4)-beta-D-GlcpNAc (English)

7 October 2016

1 reference

1 reference

IEDB Epitope ID

241115