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- ChemComp-DSG: D-ASPARAGINE -

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Open data


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Basic information

EntryDatabase: PDB chemical components / ID: DSG
NameName: D-asparagine

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Chemical information

Composition
Formula: C4H8N2O3 / Number of atoms: 17 / Formula weight: 132.118 / Formal charge: 0
Others

1t5m

Type: D-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: N / Three letter code: DSG / Model coordinates PDB-ID: 1T5M
History
Create componentJun 28, 2004
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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(N)CC(N)C(=O)O
CACTVS 3.341N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)C(=O)N

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1

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InChIKey

InChI 1.03DCXYFEDJOCDNAF-UWTATZPHSA-N

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SYSTEMATIC NAME

ACDLabs 10.04D-asparagine
OpenEye OEToolkits 1.5.0(2R)-2,4-diamino-4-oxo-butanoic acid

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PDB entries

Showing all 5 items

PDB-7c8q:
Blasnase-T13A with D-asn

PDB-7c91:
Blasnase-T13A with D-asn

PDB-7cbr:
Blasnase-T13A with D-asn

PDB-8h4e:
Blasnase-T13A/P55N with D-asn

PDB-8h4f:
Blasnase-T13A/P55F with D-asn

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