SEQ2FUN

BioLiP

PDB CCD ID: PPR
Number of entries in BioLiP: 2
Chemical formula: C3 H5 O6 P
InChI: InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
InChIKey: CHDDAVCOAOFSLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CP(=O)(O)O
CACTVS 3.341OC(=O)C(=O)C[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)P(=O)(O)O
Name:PHOSPHONOPYRUVATE
DrugBank: DB02522
ZINC: ZINC000004095926
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).