SEQ2FUN

BioLiP

PDB CCD ID: MPT
Number of entries in BioLiP: 0
Chemical formula: C3 H6 O2 S
InChI: InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
InChIKey: DKIDEFUBRARXTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CCS
ACDLabs 12.01O=C(O)CCS
OpenEye OEToolkits 1.7.6C(CS)C(=O)O
Name:BETA-MERCAPTOPROPIONIC ACID
ChEMBL: CHEMBL358697
ZINC: ZINC000003860582
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).