BioLiP

PDB

BioLiP

PDB CCD ID:

MPR

Number of entries in BioLiP:

Chemical formula:

C3 H6 O S

InChI:

InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2

InChIKey:

BMYLOHDOJPEVOR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	SCCC=O
OpenEye OEToolkits 1.5.0	C(CS)C=O
ACDLabs 10.04	O=CCCS

Name:

2-MERCAPTO-PROPION ALDEHYDE

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).