MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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acephate

	Properties	Image
MNX_ID	MNXM40015
reference	chebi:34520
formula	C₄H₁₀NO₃PS
global charge	0
mol weight	183.169
InChIKey	YASYVMFAVPKPKE-UHFFFAOYSA-N
InChI	InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
SMILES	COP(=O)(NC(C)=O)SC

MNX internals

InChI (mnx)	InChI=1/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)/t9?
SMILES (mnx)	[CH3:1][C:4](=[N:5][P:9](=[O:7])([O:8][CH3:2])[S:10][CH3:3])[OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34520 chebi:34520 YASYVMFAVPKPKE-UHFFFAOYSA-N	acephate Acephate Acetamidophos Acetylphosphoramidothioic acid O,S-dimethyl ester N-(Methoxy(methylthio)phosphinoyl)acetamide O,S-Dimethylacetylphosphoroamidothioate O,S-dimethyl acetylamidothiophosphate O,S-dimethyl acetylphosphoroamidothioate
hmdb:HMDB0247901 YASYVMFAVPKPKE-UHFFFAOYSA-N	Acephate Acephic acid Acetamidophos Acetylphosphoramidothioate O,S-dimethyl ester Acetylphosphoramidothioic acid O,S-dimethyl ester N-(Methoxy(methylthio)phosphinoyl)acetamide N-[methoxy(methylsulfanyl)phosphoryl]ethanimidic acid O,S-Dimethyl N-acetyl phosphoramidothioate O,S-Dimethyl acetylamidothiophosphate O,S-Dimethyl acetylamidothiophosphoric acid O,S-Dimethylacetylphosphoroamidothioate O,S-Dimethylacetylphosphoroamidothioic acid Orthene orthene
seed.compound:cpd10125 seedM:cpd10125 sabiork.compound:21682 sabiorkM:21682 kegg.compound:C14426 keggC:C14426 YASYVMFAVPKPKE-UHFFFAOYSA-N	Acephate O,S-Dimethylacetylphosphoroamidothioate
envipath:...15f7c5d261fc envipathM:...15f7c5d261fc YASYVMFAVPKPKE-UHFFFAOYSA-N	compound 0055979
keggC:M_C14426 seedM:M_cpd10125	secondary/obsolete/fantasy identifier