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- ChemComp-PMM: PTERIN-6-YL-METHYL-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: PMM
NameName: pterin-6-yl-methyl-monophosphate

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Chemical information

Composition
Formula: C7H8N5O5P / Number of atoms: 26 / Formula weight: 273.143 / Formal charge: 0
Others

1eye

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PMM / Model coordinates PDB-ID: 1EYE
History
Create componentMay 12, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / 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)OCc1nc2C(=O)NC(=Nc2nc1)N
CACTVS 3.341NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)

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InChIKey

InChI 1.03AJXFJEHKGGCFNM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0(2-amino-4-oxo-3H-pteridin-6-yl)methyl dihydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1eye:
1.7 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTEROATE SYNTHASE (DHPS) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 6-HYDROXYMETHYLPTERIN MONOPHOSPHATE

PDB-1twz:
Dihydropteroate Synthetase, With Bound Substrate Analogue PtP, From Bacillus anthracis

PDB-2bmb:
X-ray structure of the bifunctional 6-hydroxymethyl-7,8- dihydroxypterin pyrophosphokinase dihydropteroate synthase from Saccharomyces cerevisiae

PDB-2veg:
Dihydropteroate synthase from Streptococcus pneumoniae: complex with 6-hydroxymethyl-7,8-dihydropterin monophosphate

PDB-6omz:
Crystal Structure of Dihydropteroate synthase from Mycobacterium smegmatis with bound 6-hydroxymethylpterin-monophosphate

PDB-6ucz:
Crystal structure of dihydropteroate synthase from Anaplasma phagocytophilum with bound 6-hydroxymethylpterin-monophosphate

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