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- ChemComp-4MV: 4-METHYL VALERIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: 4MV
NameName: 4-methyl valeric acid

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Chemical information

Composition
Formula: C6H12O2 / Number of atoms: 20 / Formula weight: 116.158 / Formal charge: 0
Others

1i1m

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4MV / Model coordinates PDB-ID: 1I1M
History
Create componentFeb 9, 2001
Modify descriptorJun 4, 2011
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)CCC(C)C
CACTVS 3.341CC(C)CCC(O)=O
OpenEye OEToolkits 1.5.0CC(C)CCC(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

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InChIKey

InChI 1.03FGKJLKRYENPLQH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-methylpentanoic acid
OpenEye OEToolkits 1.5.04-methylpentanoic acid

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PDB entries

Showing all 5 items

PDB-1i1m:
CRYSTAL STRUCTURE OF ESCHERICHIA COLI BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE.

PDB-1umc:
branched-chain 2-oxo acid dehydrogenase (E1) from Thermus thermophilus HB8 with 4-methylpentanoate

PDB-2cog:
Crystal structure of oxidized human cytosolic branched-chain aminotransferase complexed with 4-methylvalerate

PDB-2eco:
Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 4-methylvalerate

PDB-2eiy:
Crystal Structure of T.th.HB8 Branched-Chain Amino Acid Aminotransferase Complexed with 4-Methylvaleric Acid

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