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BioLiP

PDB CCD ID: F98
Number of entries in BioLiP: 5
Chemical formula: C5 H12 N O5 P
InChI: InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)
InChIKey: PKMNDDZSIHLLLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)CCCN(O)C(=O)C
OpenEye OEToolkits 1.7.0CC(=O)N(CCCP(=O)(O)O)O
CACTVS 3.370CC(=O)N(O)CCC[P](O)(O)=O
Name:3-[ethanoyl(hydroxy)amino]propylphosphonic acid
ChEMBL: CHEMBL205338
ZINC: ZINC000003923871
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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