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- ChemComp-DSB: 4,7-DIOXOSEBACIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: DSB
NameName: 4,7-dioxosebacic acid

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Chemical information

Composition
Formula: C10H14O6 / Number of atoms: 30 / Formula weight: 230.215 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: DSB
History
Create componentMar 19, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / DrugBank / Nikkaji / PubChem / PubChem_TPharma / 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(CCC(=O)CCC(=O)O)CCC(=O)O
CACTVS 3.341OC(=O)CCC(=O)CCC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)CCC(=O)CCC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O

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InChI

InChI 1.03InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16)

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InChIKey

InChI 1.03DUAWJQCMZICMIK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044,7-dioxodecanedioic acid
OpenEye OEToolkits 1.5.04,7-dioxodecanedioic acid

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PDB entries

Showing all 4 items

PDB-1eb3:
YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 4,7-DIOXOSEBACIC ACID COMPLEX

PDB-1i8j:
CRYSTAL STRUCTURE OF PORPHOBILINOGEN SYNTHASE COMPLEXED WITH THE INHIBITOR 4,7-DIOXOSEBACIC ACID

PDB-1l6s:
Crystal Structure of Porphobilinogen Synthase Complexed with the Inhibitor 4,7-Dioxosebacic Acid

PDB-2c1h:
The X-ray Structure of Chlorobium vibrioforme 5-Aminolaevulinic Acid Dehydratase Complexed with a Diacid Inhibitor

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