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BioLiP

PDB CCD ID: HPL
Number of entries in BioLiP: 2
Chemical formula: C8 H17 N O
InChI: InChI=1S/C8H17NO/c1-2-3-4-5-6-7-9-8-10/h8H,2-7H2,1H3,(H,9,10)
InChIKey: YAUHDTOEJHVKJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCNC=O
ACDLabs 10.04O=CNCCCCCCC
Name:HEPTYLFORMAMIDE;
N-HEPTYLFORMAMIDE
ChEMBL: CHEMBL43719
DrugBank: DB04105
ZINC: ZINC000001598919
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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