BioLiP

PDB

BioLiP

PDB CCD ID:

VIK

Number of entries in BioLiP:

Chemical formula:

C7 H12 O4 S

InChI:

InChI=1S/C7H12O4S/c1-11-7(8)4-6-2-3-12(9,10)5-6/h6H,2-5H2,1H3/t6-/m1/s1

InChIKey:

RYJMVDYQGFCLIW-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)CC1CCS(=O)(=O)C1
CACTVS 3.385	COC(=O)C[C@H]1CC[S](=O)(=O)C1
OpenEye OEToolkits 2.0.7	COC(=O)C[C@H]1CCS(=O)(=O)C1
ACDLabs 12.01	O=S1(=O)CCC(CC(=O)OC)C1
CACTVS 3.385	COC(=O)C[CH]1CC[S](=O)(=O)C1

Name:

methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate

ZINC:

ZINC000004159592

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).