SEQ2FUN

BioLiP

PDB CCD ID: NK
Number of entries in BioLiP: 5
Chemical formula: C7 H6 O2
InChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C=O)O
ACDLabs 10.04O=Cc1ccccc1O
CACTVS 3.341Oc1ccccc1C=O
Name:SALICYLALDEHYDE
ChEMBL: CHEMBL108925
ZINC: ZINC000000896073
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).