Molecular Identity
pyridoxal phosphate
(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate
PubChem CID: 1051
Pyridoxal 5'-phosphate is the monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal. It has a role as an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor, a coenzyme, a cofactor, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of methylpyridines, a vitamin B6 phosphate, a monohydroxypyridine and a pyridinecarbaldehyde. It is functionally related to a pyridoxal. It is a conjugate acid of a pyridoxal 5'-phosphate(2-).
2D Structure
Properties
C8H10NO6P
Molecular Formula
247.14
Molecular Weight
g/mol
247.0246
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
292
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
pyridoxal phosphate54-47-7Codecarboxylasepyridoxal 5-phosphatepyridoxal 5'-phosphatePyromijinVitazechs(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphatePyridoxal PPyridoxyl phosphatePidopidonBiosechsHairoxalHimitanPyridoxal-5'-phosphate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to pyridoxal phosphate
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