UDP-N-acetyl-D-galactosamine 4,6-bissulfate (Q27101965)

uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

chemical formula

C₁₇H₂₇N₃O₂₃P₂S₂

1 reference

uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O

1 reference

uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O

1 reference

uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] (English)

InChI=1S/C17H27N3O23P2S2/c1-6(21)18-10-12(24)14(42-47(34,35)36)8(5-38-46(31,32)33)40-16(10)41-45(29,30)43-44(27,28)37-4-7-11(23)13(25)15(39-7)20-3-2-9(22)19-17(20)26/h2-3,7-8,10-16,23-25H,4-5H2,1H3,(H,18,21)(H,27,28)(H,29,30)(H,19,22,26)(H,31,32,33)(H,34,35,36)/t7-,8-,10-,11-,12-,13-,14+,15-,16?/m1/s1

5 October 2016

Identifiers

InChI

1 reference

uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] (English)

LPADIYKTUSHKJJ-RXKPRGQLSA-N

5 October 2016

InChIKey

2 references

uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

UDP-N-acetyl-D-galactosamine 4,6-bissulfate (English)

5 October 2016

2 references

uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] (English)

matched by identifier from

5 October 2016

InChIKey

LPADIYKTUSHKJJ-RXKPRGQLSA-N

ChEBI ID

16544

mapping relation type

2 references

UDP-N-acetyl-D-galactosamine 4,6-bissulfate (English)