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- ChemComp-HJH: (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propan... -

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Basic information

EntryDatabase: PDB chemical components / ID: HJH
NameName: (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid

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Chemical information

Composition
Formula: C6H10N4O3 / Number of atoms: 23 / Formula weight: 186.169 / Formal charge: 0
Others

6q60

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: HJH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q60
History
Create componentDec 10, 2018
Initial releaseApr 17, 2019
External linksUniChem / ChemSpider / PubChem / 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

CACTVS 3.385Cn1nc(O)c(C[CH](N)C(O)=O)n1
OpenEye OEToolkits 2.0.6Cn1nc(c(n1)O)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385Cn1nc(O)c(C[C@H](N)C(O)=O)n1
OpenEye OEToolkits 2.0.6Cn1nc(c(n1)O)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C6H10N4O3/c1-10-8-4(5(11)9-10)2-3(7)6(12)13/h3H,2,7H2,1H3,(H,9,11)(H,12,13)/t3-/m0/s1

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InChIKey

InChI 1.03INIGHNGDJJNUCU-VKHMYHEASA-N

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PDB entries

Showing all 1 items

PDB-6q60:
Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution

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