UCSF

ZINC00120249

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: Pyridoxal Pyridoxal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 65-22-5 , 66-72-8 , [65-22-5] , [66-72-8]

Other Names:

2-METHYL-3-HYDROXY-4-FORMYL-5-HYDROXYMETHYLPYRIDINE HYDROCHLORIDE

2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride; 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde, hydrochloride; 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride; EINECS 200-602-5; LS-134387; NSC 1961

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde

3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde hydrochloride

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde

3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde; Pyridoxal; Pyridoxaldehyde

3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde;Pyridoxal;Pyridoxaldehyde

3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd; 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl- (9CI); BRN 0383768; PYRIDOXAL; Pyridoxaldehyde; bmse000110

3-Hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd; 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-; BRN 0383768; EINECS 200-630-8; LS-134382; NSC 19613; Pyridoxal; Pyridoxaldehyde

3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde

4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride

66-72-8; C00250; Pyridoxal

66-72-8; pyridoxal

CHEBI:14976; CHEBI:45112; CHEBI:8667; CHEBI:26423

Dichlorobispyridoxalpalladium (II); Dichlorobispyridoxalpalladium(II) complex; LS-101185; Palladium, dichlorobis(3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde)-O(sup 3),O(sup 4)-; Palladium, dichlorobispyridoxal-

Dimethyl 2-bromo-5-fluoroterephthalate

MFCD00012809

MFCD00464806

PL

Pyridoxal HCl

Pyridoxal hydrochloride

Pyridoxal hydrochloride, 99%

Pyridoxal, HCl

Pyridoxal-[2H3] hydrochloride

pyridoxal; pyridoxaldehyde

Pyridoxaldehyde

Vitamin B6 hydrochloride

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.09 -0.93 -10.61 2 4 0 70 167.164 2 ↓
Hi High (pH 8-9.5) -0.09 0.07 -47.79 1 4 -1 73 166.156 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.17e+01 g/l DrugBank-nutriceuticals
Mp [°C] 171 - 175 Acros Organics
Melting_Point 172-174? dec. Alfa-Aesar
Melting_Point 172-174° dec. Alfa-Aesar
UniProt Database Links 1A110_ARATH; 1A111_ARATH; 1A112_ARATH; 1A11_ARATH; 1A11_CUCMA; 1A11_CUCPE; 1A11_ORYSI; 1A11_ORYSJ; 1A11_PRUMU; 1A12_ARATH; 1A12_CUCMA; 1A12_CUCPE; 1A12_SOLLC; 1A13_SOLLC; 1A14_ARATH; 1A14_SOLLC; 1A15_ARATH; 1A16_ARATH; 1A17_ARATH; 1A18_ARATH; 1A19_ARATH ChEBI
Patent Database Links EP0951842; EP1398316; EP1574217; EP1609462; EP1679316; EP1790331; EP1872797; EP1897547; EP1983044; US2007190057; US2007231265; US2007249562; US2007259053; US2007259956; US2007270494; US2008275215; WO2005010160; WO2005110401; WO2006134224; WO2007121588; WO ChEBI
Reactome Database Links REACT_163723; REACT_25295 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Vitamins B6 activation to pyridoxal phosphate

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.