BioLiP

PDB

BioLiP

PDB CCD ID:

UJM

Number of entries in BioLiP:

Chemical formula:

C5 H8 O2 S

InChI:

InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1

InChIKey:

MZOYMQRKTJRHGJ-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCS1
ACDLabs 12.01	C(O)(C1SCCC1)=O
OpenEye OEToolkits 2.0.7	C1CC(SC1)C(=O)O
OpenEye OEToolkits 2.0.7	C1C[C@H](SC1)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1CCCS1

Name:

(2S)-thiolane-2-carboxylic acid

ZINC:

ZINC000000900767

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).