SEQ2FUN

BioLiP

PDB CCD ID: PR6
Number of entries in BioLiP: 10
Chemical formula: C3 H3 Cl O3
InChI: InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)
InChIKey: UUOFSRVHZJTWDE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(=O)O)C(=O)Cl
CACTVS 3.370OC(=O)CC(Cl)=O
ACDLabs 12.01ClC(=O)CC(=O)O
Name:3-chloro-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).