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- ChemComp-KAP: 7-KETO-8-AMINOPELARGONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: KAP
NameName: 7-keto-8-aminopelargonic acid

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Chemical information

Composition
Formula: C9H17NO3 / Number of atoms: 30 / Formula weight: 187.236 / Formal charge: 0
Others

1qj3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KAP / Model coordinates PDB-ID: 1QJ3
History
Create componentJul 8, 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(CCCCCC(=O)O)C(N)C
CACTVS 3.341C[CH](N)C(=O)CCCCCC(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)CCCCCC(=O)O)N

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SMILES CANONICAL

CACTVS 3.341C[C@H](N)C(=O)CCCCCC(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)CCCCCC(=O)O)N

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InChI

InChI 1.03InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1

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InChIKey

InChI 1.03GUAHPAJOXVYFON-ZETCQYMHSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(8S)-8-amino-7-oxononanoic acid
OpenEye OEToolkits 1.5.0(8S)-8-amino-7-oxo-nonanoic acid

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PDB entries

Showing all 5 items

PDB-1qj3:
Crystal structure of 7,8-diaminopelargonic acid synthase in complex with 7-keto-8-aminopelargonic acid

PDB-3du4:
Crystal structure of 7-keto-8-aminopelargonic acid bound 7,8-diaminopelargonic acid synthase in bacillus subtilis

PDB-3fmi:
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with 7-Keto 8-aminopelargonic acid

PDB-4a0h:
Structure of bifunctional DAPA aminotransferase-DTB synthetase from Arabidopsis thaliana bound to 7-keto 8-amino pelargonic acid (KAPA)

PDB-4cxq:
Mycobaterium tuberculosis transaminase BioA complexed with substrate KAPA

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