4-pyridoxate

Chemical Formula:

C₈H₈NO₄

Molecular Weight:

182.155 Daltons

Monoisotopic Mass:

183.0531577825 Daltons

SMILES:

CC1(C(=C(C([O-])=O)C(=CN=1)CO)O)

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

InChIKey:

HXACOUQIXZGNBF-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-1112

RefMet: 4-Pyridoxic acid

MetaboLights: MTBLC30959

HMDB: HMDB00017

ChemSpider: 4573868

PubChem (CID): 54718174 6723

ChEBI: 30959

KEGG: C00847

CAS: 82-82-6

Reactome: 3204324

Seed: cpd00631

MetaNetX: MNXM1530