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- ChemComp-KOP: methyl dihydrogen phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: KOP
NameName: methyl dihydrogen phosphate

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Chemical information

Composition
Formula: CH5O4P / Number of atoms: 11 / Formula weight: 112.022 / Formal charge: 0
Others

3q3q

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KOP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3Q3Q
History
Create componentJan 6, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 12.01O=P(OC)(O)O
CACTVS 3.370CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0COP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0COP(=O)(O)O

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InChI

InChI 1.03InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)

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InChIKey

InChI 1.03CAAULPUQFIIOTL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01methyl dihydrogen phosphate
OpenEye OEToolkits 1.7.0methyl dihydrogen phosphate

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PDB entries

Showing all 1 items

PDB-3q3q:
Crystal Structure of SPAP: an novel alkaline phosphatase from bacterium Sphingomonas sp. strain BSAR-1

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