N-(D-glucopyranosyl)nicotinate (Q27098297)

1-D-glucopyranosylpyridinium-3-carboxylate (English)

4 October 2016

chemical formula

C₁₂H₁₅NO₇

1 reference

1-D-glucopyranosylpyridinium-3-carboxylate (English)

4 October 2016

canonical SMILES

C1=CC(=C[N+](=C1)C2C(C(C(C(O2)CO)O)O)O)C(=O)[O-]

1 reference

1-D-glucopyranosylpyridinium-3-carboxylate (English)

4 October 2016

isomeric SMILES

C1=CC(=C[N+](=C1)C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)[O-]

1 reference

1-D-glucopyranosylpyridinium-3-carboxylate (English)

InChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/t7-,8-,9+,10-,11?/m1/s1

4 October 2016

Identifiers

InChI

1 reference

1-D-glucopyranosylpyridinium-3-carboxylate (English)

CRXJVFIHZPTDKA-YBTJCZCISA-N

4 October 2016

InChIKey

2 references

1-D-glucopyranosylpyridinium-3-carboxylate (English)

4 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-(D-glucopyranosyl)nicotinate (English)

4 October 2016

1 reference

1-(D-Glucopyranosyl)-3-pyridiniumcarboxylate (English)

4 October 2016

2 references

1-D-glucopyranosylpyridinium-3-carboxylate (English)

matched by identifier from

4 October 2016

InChIKey

CRXJVFIHZPTDKA-YBTJCZCISA-N

Reaxys registry number

4157144

1 reference

N-(D-glucopyranosyl)nicotinate (English)

4 October 2016

ChEBI ID

15917

mapping relation type

2 references

N-(D-glucopyranosyl)nicotinate (English)