BioLiP

PDB

BioLiP

PDB CCD ID:

XH7

Number of entries in BioLiP:

Chemical formula:

C5 H8 O2 S

InChI:

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

InChIKey:

BSNQHVPRAPQLSW-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CSC[C@H]1C(=O)O
ACDLabs 12.01	O=C(O)C1CSCC1
OpenEye OEToolkits 2.0.7	C1CSCC1C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCSC1
CACTVS 3.385	OC(=O)[C@H]1CCSC1

Name:

(3R)-thiolane-3-carboxylic acid

ZINC:

ZINC000034099551

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).