BioLiP

PDB

BioLiP

PDB CCD ID:

H3B

Number of entries in BioLiP:

Chemical formula:

C6 H16 O3 S Si

InChI:

InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)

InChIKey:

TVZRAEYQIKYCPH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[Si](C)(C)CCC[S](O)(=O)=O
OpenEye OEToolkits 2.0.6	C[Si](C)(C)CCCS(=O)(=O)O

Name:

3-trimethylsilylpropane-1-sulfonic acid

ZINC:

ZINC000169748302

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).