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- ChemComp-ASP: ASPARTIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: ASP
NameName: aspartic acid

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Chemical information

Composition
Formula: C4H7NO4 / Number of atoms: 16 / Formula weight: 133.103 / Formal charge: 0
OthersType: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: D / Three letter code: ASP / Ideal coordinates details: Corina
History
Create componentJul 8, 1999
Modify leaving atom flagJan 28, 2011
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 12.01O=C(O)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O

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InChI

InChI 1.03InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

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InChIKey

InChI 1.03CKLJMWTZIZZHCS-REOHCLBHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01L-aspartic acid
OpenEye OEToolkits 1.7.0(2S)-2-azanylbutanedioic acid

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