ChemComp-G8M: (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid

Basic information

• Entry: Database: PDB chemical components / ID: G8M
• Name: Name: (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid; Synonyms: (2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine

Chemical information

Composition

Formula: C₇H₁₁NO₄ / Number of atoms: 23 / Formula weight: 173.167 / Formal charge: 0

Others

4g8m

GLU

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: G8M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4G8M / Parent comp.: GLU

History

Create component	Jul 30, 2012
Modify synonyms	Mar 13, 2021

• External links: UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: O=C(O)C(N)C1CCC1C(=O)O
• CACTVS 3.370: N[CH]([CH]1CC[CH]1C(O)=O)C(O)=O
• OpenEye OEToolkits 1.7.6: C1CC(C1C(C(=O)O)N)C(=O)O

SMILES CANONICAL

• CACTVS 3.370: N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O
• OpenEye OEToolkits 1.7.6: C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O

InChI

• InChI 1.03: InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1

InChIKey

• InChI 1.03: SRAFHGOPGVYULO-WISUUJSJSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid
• OpenEye OEToolkits 1.7.6: (1S,2R)-2-[(1S)-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]cyclobutane-1-carboxylic acid

PDB entries

Showing all 2 items

PDB-4g8m:
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the agonist CBG-IV at 2.05A resolution

PDB-4g8n:
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist G8M