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- ChemComp-5F0: (3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 5F0
NameName: (3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Synonyms: 1-methyl isoaspartic acid

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Chemical information

Composition
Formula: C5H9NO4 / Number of atoms: 19 / Formula weight: 147.129 / Formal charge: 0
Others

7p2e

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: 5F0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7P2E
History
Create componentJul 9, 2021
Modify linking typeMay 26, 2022
Initial releaseJun 15, 2022
Modify backboneNov 3, 2023
Modify synonymsJan 10, 2024
External linksUniChem / ChemSpider / Brenda / CompTox / PubChem / SureChEMBL / 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 3.385COC(=O)[CH](N)CC(O)=O
OpenEye OEToolkits 2.0.7COC(=O)C(CC(=O)O)N

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SMILES CANONICAL

CACTVS 3.385COC(=O)[C@@H](N)CC(O)=O
OpenEye OEToolkits 2.0.7COC(=O)[C@H](CC(=O)O)N

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InChI

InChI 1.03InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1

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InChIKey

InChI 1.03SWWBMHIMADRNIK-VKHMYHEASA-N

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PDB entries

Showing all 1 items

PDB-9ru6:
Human mitoribosome bound to TACO1 (Translational activator of COX1), mRNA, A/A-, P/P- and (partial) E/E-tRNAs

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