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BioLiP

PDB CCD ID: KPA
Number of entries in BioLiP: 1
Chemical formula: C5 H9 O6 P
InChI: InChI=1S/C5H9O6P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-3H2,(H,7,8)(H2,9,10,11)
InChIKey: UFXCSKVWNXIICO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)C(=O)O)CP(=O)(O)O
CACTVS 3.341OC(=O)C(=O)CCC[P](O)(O)=O
ACDLabs 10.04O=C(C(=O)O)CCCP(=O)(O)O
Name:2-OXO-5-PHOSPHONOPENTANOIC ACID
ZINC: ZINC000024687891
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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