(Q27104185)

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate (English)

5 October 2016

chemical formula

C₈H₈NO₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=NC=C(C(=C1[O-])C(=O)O)CO

1 reference

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate (English)

InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/p-1

5 October 2016

Identifiers

InChI

1 reference

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate (English)

HXACOUQIXZGNBF-UHFFFAOYSA-M

5 October 2016

InChIKey

2 references

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinate (English)

5 October 2016

1 reference

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate (English)

5 October 2016

ChEBI ID

30959

mapping relation type

1 reference