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- ChemComp-PXP: PYRIDOXINE-5'-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: PXP
NameName: pyridoxine-5'-phosphate

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Chemical information

Composition
Formula: C8H12NO6P / Number of atoms: 28 / Formula weight: 249.158 / Formal charge: 0
Others

1ho4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PXP / Model coordinates PDB-ID: 1HO4
History
Create componentDec 12, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CO)C
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CO)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CO)O

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SMILES CANONICAL

CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CO)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CO)O

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InChI

InChI 1.03InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)

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InChIKey

InChI 1.03WHOMFKWHIQZTHY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 5 items

PDB-1ho4:
CRYSTAL STRUCTURE OF PYRIDOXINE 5'-PHOSPHATE SYNTHASE IN COMPLEX WITH PYRIDOXINE 5'-PHOSPHATE AND INORGANIC PHOSPHATE

PDB-1szr:
A Dimer interface mutant of ornithine decarboxylase reveals structure of gem diamine intermediate

PDB-3f4n:
Crystal Structure of Pyridoxal Phosphate Biosynthetic Protein PdxJ from Yersinia pestis

PDB-3o6d:
Pyridoxal phosphate biosynthetic protein PdxJ from Campylobacter jejuni in complex with pyridoxine-5'-phosphate

PDB-7ubq:
The crystal structure of the wild-type of E. coli YGGS in complex with PNP

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