N-acetyl-beta-D-glucosaminyl-(1-&gt;4)-D-glucosaminium(1+) (Q27126959)

N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine (English)

6 October 2016

chemical formula

C₁₄H₂₇N₂O₁₀⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)[NH3+])O)CO)CO)O)O

1 reference

N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine (English)

6 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](OC([C@@H]([C@H]2O)[NH3+])O)CO)CO)O)O

1 reference

N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine (English)

InChI=1S/C14H26N2O10/c1-4(19)16-8-11(22)9(20)5(2-17)25-14(8)26-12-6(3-18)24-13(23)7(15)10(12)21/h5-14,17-18,20-23H,2-3,15H2,1H3,(H,16,19)/p+1/t5-,6-,7-,8-,9-,10-,11-,12-,13?,14+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine (English)

BXVPZDGOKHWNAM-UEVOBBHASA-O

6 October 2016

InChIKey

2 references

N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-O-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-2-ammonio-2-deoxy-D-glucopyranose (English)

6 October 2016

1 reference

N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine (English)

6 October 2016

ChEBI ID

59910

mapping relation type

1 reference