SIF

3-TRIMETHYLSILYLSUCCINIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where SIF is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-TRIMETHYLSILYLSUCCINIC ACID
Systematic Name (OpenEye OEToolkits)	2-trimethylsilylbutanedioic acid
Formula	C₇ H₁₄ O₄ Si
Molecular Weight	190.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(CC(=O)O)[Si](C)(C)C
SMILES	CACTVS	3.341	C[Si](C)(C)[CH](CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C[Si](C)(C)C(CC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	C[Si](C)(C)[C@H](CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[Si](C)(C)C(CC(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H14O4Si/c1-12(2,3)5(7(10)11)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)(H,10,11)
InChIKey	InChI	1.03	RTXZCZFAAYFFKF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03452
Name	3-Trimethylsilylsuccinic Acid
Groups	experimental
Synonyms	3-Trimethylsilylsuccinic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Fumarate hydratase class II	MNTVRSEKDSMGAIDVPADKLWGAQTQRSLEHFRISTEKMPTSLIHALAL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682