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- ChemComp-2HE: (2-hydroxyethyl)phosphonic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 2HE
NameName: (2-hydroxyethyl)phosphonic acid

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Chemical information

Composition
Formula: C2H7O4P / Number of atoms: 14 / Formula weight: 126.048 / Formal charge: 0
Others

3gbf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2HE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GBF
History
Create componentFeb 23, 2009
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / 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 10.04O=P(O)(O)CCO
CACTVS 3.341OCC[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.341OCC[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)O

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InChI

InChI 1.03InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)

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InChIKey

InChI 1.03SEHJHHHUIGULEI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2-hydroxyethyl)phosphonic acid
OpenEye OEToolkits 1.5.02-hydroxyethylphosphonic acid

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PDB entries

Showing all 4 items

PDB-3gbf:
Phpd with cadmium complexed with hydroethylphosphonate (HEP)

PDB-3ou7:
DhpI-SAM-HEP complex

PDB-6b9r:
Streptomyces albus HEPD with substrate 2-hydroxyethylphosphonate (2-HEP) and Fe(II) bound

PDB-6b9t:
Crystal structure of MPnS with substrate 2-hydroxyethylphosphonate (2-HEP) and Fe(II) bound

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