VX nerve agent (CHEBI:136185)

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ChEBI Name	VX nerve agent

ChEBI ID	CHEBI:136185

Definition	A organic thiophosphate that is the ethyl ester of S-{2-[di(propan-2-yl)amino]ethyl} O hydrogen methylphosphonothioate. A toxic nerve agent used in chemical warfare.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

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Formula

C11H26NO2PS

Net Charge

Average Mass

267.370

Monoisotopic Mass

267.14219

InChI

InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3

InChIKey

JJIUCEJQJXNMHV-UHFFFAOYSA-N

SMILES

CC(N(CCSP(OCC)(=O)C)C(C)C)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. neurotoxin A poison that interferes with the functions of the nervous system.

ChEBI Ontology
Outgoing	VX nerve agent (CHEBI:136185) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) VX nerve agent (CHEBI:136185) has role neurotoxin (CHEBI:50910) VX nerve agent (CHEBI:136185) is a organic thiophosphate (CHEBI:37512) VX nerve agent (CHEBI:136185) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

S-{2-[di(propan-2-yl)amino]ethyl} O-ethyl methylphosphonothioate

Synonyms	Sources
Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate	ChemIDplus
Ethyl-S-diisopropylaminoethyl methylthiophosphonate	ChemIDplus
O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate	ChemIDplus
O-ethyl-S-[2-(N,N-diisopropylamino)ethyl] ester	NIST Chemistry WebBook
S-(2-Diisopropylaminoethyl) O-ethyl methyl phosphonothiolate	ChemIDplus
VX	ChemIDplus

Last Modified

15 March 2018