CHEBI:38864 - propetamphos

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ChEBI Name propetamphos
ChEBI ID CHEBI:38864
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H20NO4PS
Net Charge 0
Average Mass 281.30990
Monoisotopic Mass 281.08507
InChI InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+
InChIKey BZNDWPRGXNILMS-VQHVLOKHSA-N
SMILES CCNP(=S)(OC)O\C(C)=C\C(=O)OC(C)C
Roles Classification
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.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
(via organophosphorus insecticide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organophosphorus pesticide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing propetamphos (CHEBI:38864) has functional parent isopropyl 3-hydroxybut-2-enoate (CHEBI:38868)
propetamphos (CHEBI:38864) has role agrochemical (CHEBI:33286)
propetamphos (CHEBI:38864) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
propetamphos (CHEBI:38864) is a isopropyl ester (CHEBI:35725)
propetamphos (CHEBI:38864) is a organophosphate insecticide (CHEBI:25708)
propetamphos (CHEBI:38864) is a phosphoramidate ester (CHEBI:27577)
IUPAC Name
propan-2-yl (2E)-3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate
Synonyms Sources
(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate ChemIDplus
1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate ChemIDplus
O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate ChEBI
Manual Xrefs Databases
549 PPDB
549 VSDB
C18669 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1979853 Beilstein Registry Number Beilstein
31218-83-4 CAS Registry Number KEGG COMPOUND
31218-83-4 CAS Registry Number ChemIDplus
Last Modified
09 March 2018