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BioLiP

PDB CCD ID: NWB
Number of entries in BioLiP: 0
Chemical formula: C8 H18 N O
InChI: InChI=1/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1
InChIKey: UKCYTFTWLWVZSO-UHFFFAOYAD
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)CCC[N+](C)(C)C
ACDLabs 10.04O=C(C)CCC[N+](C)(C)C
Name:N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM
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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