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BioLiP Library

PDB CCD ID: AKR
Number of entries in BioLiP: 2
Chemical formula: C3 H4 O2
InChI: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InChIKey: NIXOWILDQLNWCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=CC(=O)O
CACTVS 3.341OC(=O)C=C
ACDLabs 10.04O=C(O)\C=C
Name:ACRYLIC ACID
ChEMBL: CHEMBL1213529
DrugBank: DB02579
ZINC: ZINC000000895281
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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