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- ChemComp-C54: (1R)-cyclopent-2-ene-1-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: C54
NameName: (1R)-cyclopent-2-ene-1-carboxylic acid

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Chemical information

Composition
Formula: C6H8O2 / Number of atoms: 16 / Formula weight: 112.127 / Formal charge: 0
Others

4amy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C54 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AMY
History
Create componentMar 15, 2012
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / CompTox / Nikkaji / PubChem / 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 12.01O=C(O)C1C=CCC1
CACTVS 3.385OC(=O)[CH]1CCC=C1
OpenEye OEToolkits 1.9.2C1CC(C=C1)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@@H]1CCC=C1
OpenEye OEToolkits 1.9.2C1C[C@H](C=C1)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)/t5-/m0/s1

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InChIKey

InChI 1.03MOMBAXHNIPLMSI-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1R)-cyclopent-2-ene-1-carboxylic acid
OpenEye OEToolkits 1.9.2(1R)-cyclopent-2-ene-1-carboxylic acid

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PDB entries

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