SEQ2FUN

BioLiP

PDB CCD ID: XYN
Number of entries in BioLiP: 1
Chemical formula: C5 H6 O5 S
InChI: InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKey: FDUKYMHTXNDQPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(=O)C(=O)O)SCC(=O)O
CACTVS 3.352OC(=O)CSCC(=O)C(O)=O
Name:3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid;
3-(carboxymethylthio)-2-oxopropanoic acid
ChEMBL: CHEMBL259106
ZINC: ZINC000003652617
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).