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BioLiP

PDB CCD ID: 3PP
Number of entries in BioLiP: 10
Chemical formula: C3 H7 O5 P
InChI: InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
InChIKey: NLBSQHGCGGFVJW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CC[P](O)(O)=O
ACDLabs 10.04O=C(O)CCP(=O)(O)O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)C(=O)O
Name:3-PHOSPHONOPROPANOIC ACID;
2-CARBOXYETHYLPHOSPHONIC ACID
ChEMBL: CHEMBL1088324
DrugBank: DB03379
ZINC: ZINC000002008858
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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