SEQ2FUN

BioLiP

PDB CCD ID: A1EG2
Number of entries in BioLiP: 10
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)
InChIKey: QZDSXQJWBGMRLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)O)O)CCC(=O)O
CACTVS 3.385OC(=O)CCc1cccc(O)c1O
Name:3-[2,3-bis(oxidanyl)phenyl]propanoic acid
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).