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- ChemComp-MYN: (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: MYN
NameName: (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid

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Chemical information

Composition
Formula: C6H12N4O2 / Number of atoms: 24 / Formula weight: 172.185 / Formal charge: 0
Others

3knl
PDB Unreleased entry

ARG

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: MYN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KNL / Parent comp.: ARG
History
Create componentFeb 12, 2010
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
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 3.352N[CH]([CH]1CCNC(=N1)N)C(O)=O
OpenEye OEToolkits 1.7.0C1CNC(=NC1C(C(=O)O)N)N

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SMILES CANONICAL

CACTVS 3.352N[C@@H]([C@H]1CCNC(=N1)N)C(O)=O
OpenEye OEToolkits 1.7.0C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N

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InChI

InChI 1.03InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1

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InChIKey

InChI 1.03XHNWDEHKMJLKGG-DMTCNVIQSA-N

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PDB entries

Showing all 1 items

PDB-7xbu:
Crystal structure of the adenylation domain of CmnG in complex with capreomycidine

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