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- ChemComp-DER: D-4-PHOSPHOERYTHRONIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: DER
NameName: D-4-phosphoerythronic acid

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Chemical information

Composition
Formula: C4H9O8P / Number of atoms: 22 / Formula weight: 216.083 / Formal charge: 0
Others

1lk7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DER / Model coordinates PDB-ID: 1LK7
History
Create componentMay 1, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / DrugBank / PubChem / SureChEMBL / 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)OCC(O)C(O)C(=O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3+/m0/s1

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InChIKey

InChI 1.03ZCZXOHUILRHRQJ-STHAYSLISA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R,3S)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid
OpenEye OEToolkits 1.5.0(2R,3S)-2,3-dihydroxy-4-phosphonooxy-butanoic acid

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PDB entries

Showing all 2 items

PDB-1lk7:
Structure of D-Ribose-5-Phosphate Isomerase from in complex with phospho-erythronic acid

PDB-2cxo:
Crystal structure of mouse AMF / E4P complex

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