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BioLiP

PDB CCD ID: ARN
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O
InChI: InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2
InChIKey: UWHJGSVKWBLVLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=CCCCC=[N@H]
OpenEye OEToolkits 1.5.0C(CC=N)CC=O
CACTVS 3.341N=CCCCC=O
Name:1-IMINO-5-PENTANONE
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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