ChemComp-MH6: 3-hydroxy-2-iminopropanoic acid

Basic information

• Entry: Database: PDB chemical components / ID: MH6
• Name: Name: 3-hydroxy-2-iminopropanoic acid

Chemical information

Composition

Formula: C₃H₅NO₃ / Number of atoms: 12 / Formula weight: 103.077 / Formal charge: 0

Others

3cf5

SER

Type: PEPTIDE LINKING / PDB classification: ATOMP / One letter code: S / Three letter code: MH6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3CF5 / Parent comp.: SER

History

Other modification	Mar 11, 2008
Other modification	Jan 4, 2011
Other modification	Jan 20, 2011
Modify descriptor	Jun 4, 2011
Other modification	Apr 16, 2019
Modify backbone	Nov 3, 2023

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Details

SMILES

• ACDLabs 12.01: O=C(O)C(=[N@H])CO
• CACTVS 3.370: OCC(=N)C(O)=O
• OpenEye OEToolkits 1.7.0: C(C(=N)C(=O)O)O

SMILES CANONICAL

• CACTVS 3.370: OCC(=N)C(O)=O
• OpenEye OEToolkits 1.7.0: [H]/N=C(\CO)/C(=O)O

InChI

• InChI 1.03: InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+

InChIKey

• InChI 1.03: MUHXUPVPXJXCGV-DUXPYHPUSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: (2E)-3-hydroxy-2-iminopropanoic acid
• OpenEye OEToolkits 1.7.0: 3-hydroxy-2-imino-propanoic acid

PDB entries

Showing all 2 items

PDB-2e49:
Crystal Structure of Human D-Amino Acid Oxidase in Complex with Imino-Serine

PDB-3cep:
Structure of a tryptophan synthase quinonoid intermediate