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- ChemComp-BMD: BUTYRAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: BMD
NameName: butyramide

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Chemical information

Composition
Formula: C4H9NO / Number of atoms: 15 / Formula weight: 87.12 / Formal charge: 0
Others

1qo0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BMD / Model coordinates PDB-ID: 1QO0
History
Create componentOct 19, 1999
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(N)CCC
CACTVS 3.341CCCC(N)=O
OpenEye OEToolkits 1.5.0CCCC(=O)N

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SMILES CANONICAL

CACTVS 3.341CCCC(N)=O
OpenEye OEToolkits 1.5.0CCCC(=O)N

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InChI

InChI 1.03InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)

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InChIKey

InChI 1.03DNSISZSEWVHGLH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04butanamide
OpenEye OEToolkits 1.5.0butanamide

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PDB entries

Showing all 4 items

PDB-1qnl:
AMIDE RECEPTOR/NEGATIVE REGULATOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA (AMIC) COMPLEXED WITH BUTYRAMIDE

PDB-1qo0:
Amide receptor of the amidase operon of Pseudomonas aeruginosa (AmiC) complexed with the negative regulator AmiR.

PDB-3pii:
Crystal structure of Mutant of ht- Alcohol Dehydrogenase with substrate analogue butyramide

PDB-4izs:
The C145A mutant of the amidase from Nesterenkonia sp. AN1 in complex with butyramide

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