Pyridoxal

Pyridoxal bmse000110 - Data bmst000126 - Theory

Pyridoxal synonyms

PYRIDOXAL; 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl- (9CI); Pyridoxaldehyde; Pyridoxal; BRN 0383768; 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd

Wikipedia:

Graphical representations:

pyridoxal

View large 3D structure

Molecular Formula: C8H9NO3

Natural Isotopic Abundance Mass: 167.1619600000

Mono-Isotopic Molecular Masses:

  • C12N14: 167.05824316
  • C13N14: 175.085081863
  • C12N15: 168.055278054
  • C13N15: 175.085081863

InChI string: InChI=1/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3

IUPAC: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde

PubChem Compound (CID): 1050
KEGG Compound ID: C00250
CAS Registry number: 66-72-8
ChEBI: 17310
EINECS: 200-630-8
Beilstein Handbook Reference: 5-21-13-00044

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)