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- ChemComp-S0H: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: S0H
NameName: (S)-2-hydroxypropylphosphonic acid

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Chemical information

Composition
Formula: C3H9O4P / Number of atoms: 17 / Formula weight: 140.075 / Formal charge: 0
Others

1zz7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S0H / Model coordinates PDB-ID: 1ZZ7
History
Create componentJul 6, 2005
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)CC(O)C
CACTVS 3.341C[CH](O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(CP(=O)(O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1

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InChIKey

InChI 1.03ZFVCONUOLQASEW-VKHMYHEASA-N

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SYSTEMATIC NAME

ACDLabs 10.04[(2S)-2-hydroxypropyl]phosphonic acid
OpenEye OEToolkits 1.5.0[(2S)-2-hydroxypropyl]phosphonic acid

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PDB entries

Showing all 6 items

PDB-1zz7:
Crystal Structure of FeII HppE in Complex with Substrate form 1

PDB-1zz8:
Crystal Structure of FeII HppE in Complex with Substrate Form 2

PDB-1zzb:
Crystal Structure of CoII HppE in Complex with Substrate

PDB-3scf:
Fe(II)-HppE with S-HPP and NO

PDB-5u55:
Psf4 in complex with Mn2+ and (S)-2-HPP

PDB-5u57:
Psf4 in complex with Fe2+ and (S)-2-HPP

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