SEQ2FUN

BioLiP

PDB CCD ID: FPE
Number of entries in BioLiP: 2
Chemical formula: C3 H6 F O6 P
InChI: InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey: BNOCDEBUFVJMQI-REOHCLBHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OC(C(=O)O)CF
OpenEye OEToolkits 1.5.0C(C(C(=O)O)OP(=O)(O)O)F
CACTVS 3.341OC(=O)[CH](CF)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)OP(=O)(O)O)F
CACTVS 3.341OC(=O)[C@H](CF)O[P](O)(O)=O
Name:3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID
DrugBank: DB03113
ZINC: ZINC000012503067
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).