Basic information
- Standard SMILES
Cc1ncc(COP(=O)(O)O)c(CO)c1O- InChIKey
WHOMFKWHIQZTHY-UHFFFAOYSA-N- Molecular formula
- C8H12NO6P
- Average molar mass
- 249.16 g/mol
- Monoisotopic mass
- 249.04022373
Overview
Pyridoxine 5'-phosphate is a vitamin B6 phosphate. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a pyridoxine. It is a conjugate acid of a pyridoxine 5'-phosphate(2-).
Names & identifiers
- Preferred name
- Pyridoxine 5'-phosphate
- IUPAC
- [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
- English name
- Pyridoxol 5′-Phosphate
- Molecular formula
- C8H12NO6P
- Molecular weight
- 249.16
Names & synonyms
Show more names
Database identifiers
- CAS
447-05-2- PubChem CID
- 1055
- DTXSID
DTXSID80196278- ChEBI
CHEBI:28803- UNII
- RG20W8WYLS
- EC Number
- 207-179-6
- Nikkaji
- J196.145D
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 210 · 210-211 °C
- Boiling point
- 638.5 · 638.5±65.0 °C(Predicted)
- Density
- 1.628 · 1.628±0.06 g/cm3(Predicted)
- solubility
- Water (Slightly)
- form
- Solid
- pka
- 1.62 · 1.62±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- InChI=1S/C8H13NO7P/c1-5-7(12)6(2-10)8(4-11,3-9-5)16-17(13,14)15/h3,10-12H,2,4H2,1H3,(H2,13,14,15)
- InChIKey
- CGTLISPCXZSQJV-UHFFFAOYSA-N
- SMILES
- C1=NC(C)=C(O)C(CO)=C1(OP(O)(O)=O)CO
- FDA UNII
- 20 W8WYLS · RG20W8WYLS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Applications
DescriptionPyridoxol 5′-Phosphate is an important biological reagent that can be used to act as a coenzyme in enzymatic reactions and is involved in transamination, decarboxylation and racemisation of amino acids. It is used in studies related to amino acid metabolism. In addition, it is also central to neurotransmitter biosynthesis studies and is involved in the conversion of amino acids into neurotransmitter molecules. Pyridoxal 5′-phosphate can be used to explore the mechanism of aldehyde group transfer and the formation of enzyme-substrate complexes.
UsesPyridoxol 5'-phosphate is a vitamer of Vitamin B6 complex (P991715), an enzyme cofactor in many reactions of amino acid metabolism.
UsesPyridoxol 5''-phosphate is a vitamer of Vitamin B6 complex (P991715), an enzyme cofactor in many reactions of amino acid metabolism.
Suppliers23 total
Additional notes
DefinitionChEBI: Pyridoxine 5'-phosphate is a vitamin B6 phosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a pyridoxine. It is a conjugate acid of a pyridoxine 5'-phosphate(2-).
Related reactions
No reaction records under the current filter.
Linked notes
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