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- ChemComp-PEQ: L-PHOSPHOLACTATE -

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Basic information

EntryDatabase: PDB chemical components / ID: PEQ
NameName: L-phospholactate

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Chemical information

Composition
Formula: C3H7O6P / Number of atoms: 17 / Formula weight: 170.058 / Formal charge: 0
Others

1aqf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PEQ / Model coordinates PDB-ID: 1AQF
History
Create componentJun 18, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / KEGG_Ligand / 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=C(O)C(OP(=O)(O)O)C
CACTVS 3.341C[CH](O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)OP(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1

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InChIKey

InChI 1.03CSZRNWHGZPKNKY-REOHCLBHSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-(phosphonooxy)propanoic acid
OpenEye OEToolkits 1.5.0(2S)-2-phosphonooxypropanoic acid

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PDB entries

Showing all 3 items

PDB-1aqf:
PYRUVATE KINASE FROM RABBIT MUSCLE WITH MG, K, AND L-PHOSPHOLACTATE

PDB-3fj7:
Crystal structure of L-phospholactate Bound PEB3

PDB-4umc:
Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water

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