SEQ2FUN

BioLiP

PDB CCD ID: OMD
Number of entries in BioLiP: 21
Chemical formula: C8 H8 O4
InChI: InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKey: IGMNYECMUMZDDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1O)CC(=O)O)O
CACTVS 3.341OC(=O)Cc1cc(O)ccc1O
ACDLabs 10.04O=C(O)Cc1cc(O)ccc1O
Name:2-(3,6-DIHYDROXYPHENYL)ACETIC ACID;
HOMOGENTISIC ACID
DrugBank: DB08327
ZINC: ZINC000000388428
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).