ETM

2-(TRIMETHYLAMMONIUM)ETHYL THIOL

Created:	2003-09-26
Last modified:	2024-09-27

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11 entries where ETM is found as a standalone ligand4 entries where ETM is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	1
Atom Count	21
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-(TRIMETHYLAMMONIUM)ETHYL THIOL
Systematic Name (OpenEye OEToolkits)	trimethyl-(2-sulfanylethyl)azanium
Formula	C₅ H₁₄ N S
Molecular Weight	120.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	SCC[N+](C)(C)C
SMILES	CACTVS	3.341	C[N+](C)(C)CCS
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCS
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CCS
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCS
InChI	InChI	1.03	InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
InChIKey	InChI	1.03	VFUGTBZQGUVGEX-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB01803
Name	2-(Trimethylammonium)Ethyl Thiol
Groups	experimental
Synonyms	2-(Trimethylammonium)Ethyl Thiol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
NPQTN specific sortase B	MRMKRFLTIVQILLVVIIIIFGYKIVQTYIEDKQERANYEKLQQKFQMLM...	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