(Q27124111)

GalNAc(alpha1->O)Thr (English)

3-O-(N-acetyl-beta-D-glucosaminyl)-L-threonine

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₂₂N₂O₈

1 reference

GalNAc(alpha1->O)Thr (English)

19 October 2016

canonical SMILES

CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)O)NC(=O)C

1 reference

GalNAc(alpha1->O)Thr (English)

19 October 2016

isomeric SMILES

C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C

1 reference

GalNAc(alpha1->O)Thr (English)

InChI=1S/C12H22N2O8/c1-4(7(13)11(19)20)21-12-8(14-5(2)16)10(18)9(17)6(3-15)22-12/h4,6-10,12,15,17-18H,3,13H2,1-2H3,(H,14,16)(H,19,20)/t4-,6-,7+,8-,9+,10-,12+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

GalNAc(alpha1->O)Thr (English)

KUIFHYPNNRVEKZ-VIJRYAKMSA-N

19 October 2016

InChIKey

2 references

GalNAc(alpha1->O)Thr (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid (English)

19 October 2016

2 references

GalNAc(alpha1->O)Thr (English)

matched by identifier from

19 October 2016

InChIKey

KUIFHYPNNRVEKZ-VIJRYAKMSA-N

ChEBI ID

53609

mapping relation type

2 references

O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C12H22N2O8/c1-4(7(13)11(19)20)21-12-8(14-5(2)16)10(18)9(17)6(3-15)22-12/h4,6-10,12,15,17-18H,3,13H2,1-2H3,(H,14,16)(H,19,20)/t4-,6-,7+,8-,9+,10-,12+/m1/s1

1 reference