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

Feedback

aminoparathion

	Properties	Image
MNX_ID	MNXM6169
reference	chebi:28055
formula	C₁₀H₁₆NO₃PS
global charge	0
mol weight	261.283
InChIKey	XIZOTXGJXSTQDI-UHFFFAOYSA-N
InChI	InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
SMILES	CCOP(=S)(OCC)OC1=CC=C(N)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][O:12][P:15]([O:13][CH2:4][CH3:2])([O:14][C:10]1=[CH:8][CH:6]=[C:9]([NH2:11])[CH:5]=[CH:7]1)=[S:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28055 chebi:28055 XIZOTXGJXSTQDI-UHFFFAOYSA-N	aminoparathion 4-aminoparathion E 605 reduced O,O-diethyl O-(4-aminophenyl) phosphorothioate O-(4-aminophenyl) O,O-diethyl phosphorothioate amino-parathion p-aminoparathion parathion amino phosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester thiophosphoric acid O-(4-aminophenyl) O,O-diethyl ester thiophosphoric acid diethyl 4-aminophenyl ester
envipath:...d42c584fdf62 envipathM:...d42c584fdf62 kegg.compound:C06605 keggC:C06605 XIZOTXGJXSTQDI-UHFFFAOYSA-N	Aminoparathion
hmdb:HMDB0001504 XIZOTXGJXSTQDI-UHFFFAOYSA-N	Aminoparathion 4-Aminoparathion AP Amino-parathion O,O-Diethyl O-(4-aminophenyl) phosphorothioate O,O-Diethyl O-(4-aminophenyl) phosphorothioic acid O-4-aminophenyl O,O-diethyl phosphorothioate Parathion amino Phosphorothioate, O-(4-aminophenyl) O,O-diethyl ester Phosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester Thiophosphate O-(4-aminophenyl) O,O-diethyl ester Thiophosphate diethyl 4-aminophenyl ester Thiophosphoric acid O-(4-aminophenyl) O,O-diethyl ester Thiophosphoric acid diethyl 4-aminophenyl ester e 605 Reduced p-Aminoparathion
seed.compound:cpd04009 seedM:cpd04009 XIZOTXGJXSTQDI-UHFFFAOYSA-N	Aminoparathion amino-parathion
metacyc.compound:AMINO-PARATHION metacycM:AMINO-PARATHION XIZOTXGJXSTQDI-UHFFFAOYSA-N	amino-parathion
hmdb:HMDB01504 chebi:22518 chebi:2657 keggC:M_C06605 seedM:M_cpd04009	secondary/obsolete/fantasy identifier