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BioLiP

PDB CCD ID: GNC
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O3
InChI: InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1
InChIKey: KSZFSNZOGAXEGH-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN[C@@H](CCC(=O)N)C(=O)O
OpenEye OEToolkits 1.7.6CNC(CCC(=O)N)C(=O)O
ACDLabs 12.01O=C(O)C(NC)CCC(=O)N
CACTVS 3.370CN[CH](CCC(N)=O)C(O)=O
CACTVS 3.370CN[C@@H](CCC(N)=O)C(O)=O
Name:N~2~-methyl-L-glutamine
ZINC: ZINC000006068333
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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