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- ChemComp-DHP: 3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROLINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DHP
NameName: 3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline

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Chemical information

Composition
Formula: C14H23NO3 / Number of atoms: 41 / Formula weight: 253.337 / Formal charge: 0
Others

1al8

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: X / Three letter code: DHP / Model coordinates PDB-ID: 1AL8
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / CompTox / DrugBank / 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=C1C(=C(O)C(=O)N1)CCCCCCCCCC
CACTVS 3.341CCCCCCCCCCC1=C(O)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCC1=C(C(=O)NC1=O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCC1=C(O)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCC1=C(C(=O)NC1=O)O

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InChI

InChI 1.03InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)

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InChIKey

InChI 1.03LXIDJQZEXUQBGG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-decyl-4-hydroxy-1H-pyrrole-2,5-dione
OpenEye OEToolkits 1.5.03-decyl-4-hydroxy-pyrrole-2,5-dione

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PDB entries

Showing all 1 items

PDB-1al8:
THREE-DIMENSIONAL STRUCTURE OF GLYCOLATE OXIDASE WITH BOUND ACTIVE-SITE INHIBITORS

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