BioLiP

PDB

BioLiP

PDB CCD ID:

TSD

Number of entries in BioLiP:

Chemical formula:

C6 H9 O2 Si

InChI:

InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)/p-1/i4D2,5D2

InChIKey:

NONFLFDSOSZQHR-CQOLUAMGSA-M

SMILES:

Software	SMILES
ACDLabs 12.01	[2H]C([2H])(C([O-])=O)C([2H])([2H])[Si](C)(C)C
CACTVS 3.370	C[Si](C)(C)C(C(C([O-])=O)([2H])[2H])([2H])[2H]
OpenEye OEToolkits 1.7.2	[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C

Name:

3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,-D4

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).