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BioLiP

PDB CCD ID: MND
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N2 O3
InChI: InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKey: CFRMVEKWKKDNAH-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CNC(=O)C[C@H](C(=O)O)N
OpenEye OEToolkits 1.7.0CNC(=O)CC(C(=O)O)N
CACTVS 3.352CNC(=O)C[C@@H](N)C(O)=O
ACDLabs 11.02O=C(NC)CC(N)C(=O)O
CACTVS 3.352CNC(=O)C[CH](N)C(O)=O
Name:N-methyl-D-asparagine
ZINC: ZINC000001573266
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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