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BioLiP

PDB CCD ID: A1ISO
Number of entries in BioLiP: 2
Chemical formula: C7 H17 N
InChI: InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
InChIKey: WJYIASZWHGOTOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCN
Name:n-heptylamine;
heptan-1-amine
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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