CHEBI:38463 - alanycarb

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name alanycarb
ChEBI ID CHEBI:38463
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H25N3O4S2
Net Charge 0
Average Mass 399.53022
Monoisotopic Mass 399.12865
InChI InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-
InChIKey GMAUQNJOSOMMHI-JXAWBTAJSA-N
SMILES CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)O\N=C(\C)SC
Roles Classification
Biological Role(s): carbamate insecticide
Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief.
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): carbamate insecticide
Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
nematicide
A substance used to destroy pests of the phylum Nematoda (roundworms).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alanycarb (CHEBI:38463) has role agrochemical (CHEBI:33286)
alanycarb (CHEBI:38463) has role carbamate insecticide (CHEBI:38461)
alanycarb (CHEBI:38463) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
alanycarb (CHEBI:38463) has role nematicide (CHEBI:25491)
alanycarb (CHEBI:38463) is a carbamate ester (CHEBI:23003)
alanycarb (CHEBI:38463) is a ethyl ester (CHEBI:23990)
IUPAC Name
ethyl N-benzyl-N-({methyl[({[(1Z)-1-(methylsulfanyl)ethylidene]amino}oxy)carbonyl]amino}sulfanyl)-β-alaninate
Synonym Source
ethyl (3Z)-9-benzyl-3,7-dimethyl-6-oxo-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate IUPAC
Manual Xrefs Databases
18 PPDB
C18414 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
83130-01-2 CAS Registry Number KEGG COMPOUND
83130-01-2 CAS Registry Number ChemIDplus
Last Modified
02 March 2015