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BioLiP

PDB CCD ID: PCT
Number of entries in BioLiP: 18
Chemical formula: C2 H6 N O4 P
InChI: InChI=1S/C2H6NO4P/c3-2(4)1-8(5,6)7/h1H2,(H2,3,4)(H2,5,6,7)
InChIKey: AKVIWWJLBFWFLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(N)CP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C(=O)N)P(=O)(O)O
CACTVS 3.341NC(=O)C[P](O)(O)=O
Name:PHOSPHONOACETAMIDE
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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