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- ChemComp-OSB: 2-SUCCINYLBENZOATE -

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Basic information

EntryDatabase: PDB chemical components / ID: OSB
NameName: 2-succinylbenzoate / Synonyms: O-SUCCINYLBENZOATE

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Chemical information

Composition
Formula: C11H10O5 / Number of atoms: 26 / Formula weight: 222.194 / Formal charge: 0
Others

1fhv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OSB / Model coordinates PDB-ID: 1FHV
History
Create componentAug 11, 2000
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / 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)c1ccccc1C(=O)CCC(=O)O
CACTVS 3.341OC(=O)CCC(=O)c1ccccc1C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)CCC(=O)c1ccccc1C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)

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InChIKey

InChI 1.03YIVWQNVQRXFZJB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-(3-carboxypropanoyl)benzoic acid
OpenEye OEToolkits 1.5.02-(4-hydroxy-4-oxo-butanoyl)benzoic acid

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PDB entries

Showing all 4 items

PDB-1fhv:
CRYSTAL STRUCTURE ANALYSIS OF O-SUCCINYLBENZOATE SYNTHASE FROM E. COLI COMPLEXED WITH MG AND OSB

PDB-1sjb:
X-ray structure of o-succinylbenzoate synthase complexed with o-succinylbenzoic acid

PDB-2qvh:
Crystal structure of O-succinylbenzoate synthase complexed with O-succinyl benzoate (OSB)

PDB-5gtd:
o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis in Complex with the Acyl-adenylate Intermediate OSB-AMP

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