Pyridoxal
Pyridoxal synonyms
PYRIDOXAL; 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl- (9CI); Pyridoxaldehyde; 3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd
Graphical representations:
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: 176.082116756
InChI string: InChI=1S/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): 1050KEGG Compound ID: C00250
CAS Registry number: 66-72-8
ChEBI: 17310
EINECS: 200-630-8
Beilstein Handbook Reference: 5-21-13-00044
PDB Compound ID: PXL
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)