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BioLiP

PDB CCD ID: F3V
Number of entries in BioLiP: 16
Chemical formula: C3 H7 N O
InChI: InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
InChIKey: BCDGQXUMWHRQCB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)CN
ACDLabs 12.01NCC(=O)C
Name:1-aminopropan-2-one
ZINC: ZINC000004658570
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)(download the PDF file).
  • 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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