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BioLiP

PDB CCD ID: ACY
Number of entries in BioLiP: 2
Chemical formula: C2 H4 O2
InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(O)=O
OpenEye OEToolkits 1.7.0CC(=O)O
ACDLabs 11.02O=C(O)C
Name:ACETIC ACID
ChEMBL: CHEMBL539
DrugBank: DB03166
ZINC: ZINC000005224164
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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