SEQ2FUN

BioLiP

PDB CCD ID: AAE
Number of entries in BioLiP: 22
Chemical formula: C4 H6 O3
InChI: InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey: WDJHALXBUFZDSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)CC(=O)O
ACDLabs 10.04O=C(C)CC(=O)O
CACTVS 3.341CC(=O)CC(O)=O
Name:ACETOACETIC ACID
ChEMBL: CHEMBL1230762
DrugBank: DB01762
ZINC: ZINC000000895089
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).