SEQ2FUN

BioLiP

PDB CCD ID: ZNS
Number of entries in BioLiP: 2
Chemical formula: C4 H7 O7 P
InChI: InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)
InChIKey: NCRLTRUGOQIEKI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(=O)OP(=O)(O)O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)O[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OC(=O)CCC(=O)O
Name:4-oxo-4-(phosphonooxy)butanoic acid

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).