SEQ2FUN

BioLiP

PDB CCD ID: BBR
Number of entries in BioLiP: 3
Chemical formula: C3 H6 Br O5 P
InChI: InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)
InChIKey: QXVSTTOPPFAZGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)OCC(=O)CBr
ACDLabs 10.04O=P(O)(O)OCC(=O)CBr
OpenEye OEToolkits 1.5.0C(C(=O)CBr)OP(=O)(O)O
Name:(3-bromo-2-oxo-propoxy)phosphonic 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).