SEQ2FUN

BioLiP

PDB CCD ID: IJP
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O5
InChI: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKey: JMSVCTWVEWCHDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(cc(c1O)OC)C(=O)O
CACTVS 3.385COc1cc(cc(OC)c1O)C(O)=O
Name:3,5-dimethoxy-4-oxidanyl-benzoic acid;
Syringic acid
ChEMBL: CHEMBL1414
ZINC: ZINC000000156386
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).