+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1QQ |
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Name | Name: ( |
-Chemical information
Composition | Formula: C6H10O3 / Number of atoms: 19 / Formula weight: 130.142 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 1QQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1JD2 | ||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / CompTox / DrugBank / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.0 | ( | |
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-PDB entries
Showing all 3 items
PDB-4obb:
The crystal structure of a solute-binding protein from Anabaena variabilis ATCC 29413 in complex with (3S)-3-methyl-2-oxopentanoic acid.
PDB-8ixh:
Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site
PDB-8jdz:
Crystal structure of mLDHD in complex with 2-keto-3-methylvaleric acid