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BioLiP

PDB CCD ID: AOP
Number of entries in BioLiP: 2
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-2-3-4-7-10-8-5-6-9/h6,8H,2-5,7H2,1H3
InChIKey: PKNNPRVGISCRDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCONCC=O
ACDLabs 10.04O=CCNOCCCCC
Name:PENTYLOXYAMINO-ACETALDEHYDE
ZINC: ZINC000006397287
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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