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- ChemComp-MHI: L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: MHI
NameName: L-ala-gamma-D-glu-meso-diaminopimelic acid

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Chemical information

Composition
Formula: C15H26N4O8 / Number of atoms: 53 / Formula weight: 390.389 / Formal charge: 0
Others

2y2b

ALA

DGL

API

Type: non-polymer / PDB classification: HETAIN / Three letter code: MHI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2Y2B / Subcomponent: ALA, DGL, API
History
Create componentDec 14, 2010
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

CACTVS 3.352C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCC[CH](N)C(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O)N

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SMILES CANONICAL

CACTVS 3.352C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N

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InChI

InChI 1.03InChI=1S/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/t7-,8+,9-,10+/m0/s1

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InChIKey

InChI 1.03FMNCPUGORYYCEM-QCLAVDOMSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1(2R,6S)-2-amino-6-[[(4R)-4-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]heptanedioic acid

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PDB entries

Showing all 4 items

PDB-2y2b:
crystal structure of AmpD in complex with reaction products

PDB-3o9p:
The structure of the Escherichia coli murein tripeptide binding protein MppA

PDB-4q6n:
Structural analysis of the tripeptide-bound form of Helicobacter pylori Csd4, a D,L-carboxypeptidase

PDB-8ay0:
Crystal Structure of the peptide binding protein DppE from Bacillus subtilis in complex with murein tripeptide

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