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BioLiP Library

PDB CCD ID: BAE
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O
InChI: InChI=1S/C6H13NO/c1-6(2,3)5(8)7-4/h1-4H3,(H,7,8)
InChIKey: QMKKJBRRKIKWFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)(C)C(=O)NC
ACDLabs 12.01O=C(NC)C(C)(C)C
CACTVS 3.370CNC(=O)C(C)(C)C
Name:N-methyltrimethylacetamide;
N,2,2-trimethylpropanamide
ChEMBL: CHEMBL4515313
ZINC: ZINC000000396168
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)(download the PDF file).
  • 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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