Pyridoxal phosphate hydrateProduct ingredient for Pyridoxal phosphate
- Name
- Pyridoxal phosphate hydrate
- Drug Entry
- Pyridoxal phosphate
This is the active form of vitamin B6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (pyridoxamine).
- Accession Number
- DBSALT001801
- Structure
Structure for Pyridoxal phosphate hydrate (DBSALT001801)
- Synonyms
- 3-hydroxy-2-methyl-5-((phosphonoxy)methyl)-4-pyridinecarboxaldehyde hydrate / 4-pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, hydrate (1:1) / Pyridoxal 5-phosphate monohydrate / Pyridoxal 5'-phosphate monohydrate / Pyridoxal phosphate / Pyridoxal phosphate monohydrate
- UNII
- 5V5IOJ8338
- CAS Number
- 41468-25-1
- Weight
- Average: 265.158
Monoisotopic: 265.035138728 - Chemical Formula
- C8H12NO7P
- InChI Key
- CEEQUQSGVRRXQI-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H10NO6P.H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);1H2
- IUPAC Name
- [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid hydrate
- SMILES
- O.CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
- External Links
- ChemSpider
- 35586
- ChEBI
- 192625
- ChEMBL
- CHEMBL3181870
- Predicted Properties
Property Value Source Water Solubility 5.7 mg/mL ALOGPS logP -0.55 ALOGPS logP -2.1 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 1.68 Chemaxon pKa (Strongest Basic) 4.11 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 116.95 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 54.75 m3·mol-1 Chemaxon Polarizability 20.9 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon