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BioLiP

PDB CCD ID: 04E
Number of entries in BioLiP: 2
Chemical formula: C2 H3 I O2
InChI: InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey: JDNTWHVOXJZDSN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CI
OpenEye OEToolkits 1.7.6C(C(=O)O)I
ACDLabs 12.01ICC(=O)O
Name:iodoacetic acid
ChEMBL: CHEMBL376280
ZINC: ZINC000003860524
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).
  • 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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