(Q27125002)

4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine (English)

6 October 2016

chemical formula

C₁₄H₂₀NO₁₁⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O)[O-])O)O

1 reference

4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine (English)

6 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O

1 reference

4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine (English)

InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/p-1/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine (English)

DLGJWSVWTWEWBJ-ZTVLJYEESA-M

6 October 2016

InChIKey

2 references

4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-D-galactosamine(1-) (English)

6 October 2016

1 reference

4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine (English)

6 October 2016

ChEBI ID

57850

mapping relation type

1 reference