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BioLiP

PDB CCD ID: XEM
Number of entries in BioLiP: 2
Chemical formula: C3 H7 N O
InChI: InChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3
InChIKey: DAGJBILJINSVOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCN=O
Name:1-nitrosopropane
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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