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- ChemComp-2NP: L-2-AMINO-6-METHYLENE-PIMELIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: 2NP
NameName: L-2-amino-6-methylene-pimelic acid

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Chemical information

Composition
Formula: C8H13NO4 / Number of atoms: 26 / Formula weight: 187.193 / Formal charge: 0
Others

1f06

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2NP / Model coordinates PDB-ID: 1F06
History
Create componentMay 24, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / DrugBank / Nikkaji / PubChem / PubChem_TPharma / 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 10.04O=C(O)/C(=C)CCCC(N)C(=O)O
CACTVS 3.341N[CH](CCCC(=C)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C=C(CCCC(C(=O)O)N)C(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C8H13NO4/c1-5(7(10)11)3-2-4-6(9)8(12)13/h6H,1-4,9H2,(H,10,11)(H,12,13)/t6-/m0/s1

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InChIKey

InChI 1.03SGAIRWMSXVAPOO-LURJTMIESA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-amino-6-methylideneheptanedioic acid
OpenEye OEToolkits 1.5.0(2S)-2-amino-6-methylidene-heptanedioic acid

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PDB entries

Showing all 1 items

PDB-1f06:
THREE DIMENSIONAL STRUCTURE OF THE TERNARY COMPLEX OF CORYNEBACTERIUM GLUTAMICUM DIAMINOPIMELATE DEHYDROGENASE NADPH-L-2-AMINO-6-METHYLENE-PIMELATE

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