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- ChemComp-2IT: (2Z)-2-iminopentanedioic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 2IT
NameName: (2Z)-2-iminopentanedioic acid

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Chemical information

Composition
Formula: C5H7NO4 / Number of atoms: 17 / Formula weight: 145.113 / Formal charge: 0
Others

3x3a
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2IT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3X3A
History
Create componentJan 28, 2015
Initial releaseJun 7, 2017
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 12.01O=C(O)CCC(=[N@H])C(=O)O
CACTVS 3.385OC(=O)CCC(=N)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=N)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)CCC(=N)C(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(/CCC(=O)O)\C(=O)O

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InChI

InChI 1.03InChI=1S/C5H7NO4/c6-3(5(9)10)1-2-4(7)8/h6H,1-2H2,(H,7,8)(H,9,10)/b6-3-

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InChIKey

InChI 1.03UZWLXPOZNAJCJV-UTCJRWHESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2Z)-2-iminopentanedioic acid
OpenEye OEToolkits 1.7.62-azanylidenepentanedioic acid

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PDB entries

Showing all 3 items

PDB-5gud:
Glutamate dehydrogenase from Corynebacterium glutamicum (alpha-iminoglutarate/NADP+ complex)

PDB-5xwc:
Crystal Structure of Aspergillus niger Glutamate Dehydrogenase Complexed With Alpha-iminoglutarate, 2-amino-2-hydroxyglutarate and NADP

PDB-9kl6:
Crystal structure of NADP-specific glutamate dehydrogenase Gdh1 from Schizosaccharomyces pombe in complex with alpha-iminoglutarate and NADP+

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