SEQ2FUN

BioLiP

PDB CCD ID: ATO
Number of entries in BioLiP: 1
Chemical formula: C3 H5 Cl O
InChI: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
InChIKey: BULLHNJGPPOUOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)CCl
ACDLabs 10.04ClCC(=O)C
Name:CHLOROACETONE
ChEMBL: CHEMBL1231084
ZINC: ZINC000001661230
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).