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BioLiP

PDB CCD ID: CLX
Number of entries in BioLiP: 1
Chemical formula: C2 H Cl3 O
InChI: InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChIKey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		ClC(Cl)(Cl)C=O
OpenEye OEToolkits 1.5.0C(=O)C(Cl)(Cl)Cl
Name:TRI-CHLORO-ACETALDEHYDE
ChEMBL: CHEMBL27551
DrugBank: DB02650
ZINC: ZINC000003875479
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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