SEQ2FUN

BioLiP

PDB CCD ID: A1AWY
Number of entries in BioLiP: 7
Chemical formula: C3 H3 Br O3
InChI: InChI=1S/C3H3BrO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)
InChIKey: RSZXDOPLBKMETA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01BrC(=O)CC(=O)O
CACTVS 3.385OC(=O)CC(Br)=O
OpenEye OEToolkits 2.0.7C(C(=O)O)C(=O)Br
Name:3-bromo-3-oxopropanoic 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).