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BioLiP

PDB CCD ID: A1H9K
Number of entries in BioLiP: 8
Chemical formula: C7 H16 N O
InChI: InChI=1S/C7H16NO/c1-8(2,5-6-9)7-3-4-7/h7,9H,3-6H2,1-2H3/q+1
InChIKey: BVCAJCAPSNWOCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[N+](C)(CCO)C1CC1
Name:cyclopropylcholine;
cyclopropyl-(2-hydroxyethyl)-dimethyl-azanium;
N-(2-hydroxyethyl)-N,N-dimethylcyclopropanaminium
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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