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

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paraoxon

	Properties	Image
MNX_ID	MNXM4766
reference	chebi:27827
formula	C₁₀H₁₄NO₆P
global charge	0
mol weight	275.197
InChIKey	WYMSBXTXOHUIGT-UHFFFAOYSA-N
InChI	InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
SMILES	CCOP(=O)(OCC)OC1=CC=C([N+](=O)[O-])C=C1

MNX internals

InChI (mnx)	InChI=1/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][O:15][P:18](=[O:14])([O:16][CH2:4][CH3:2])[O:17][C:10]1=[CH:8][CH:6]=[C:9]([N+:11]([O-:12])=[O:13])[CH:5]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27827 chebi:27827 WYMSBXTXOHUIGT-UHFFFAOYSA-N	paraoxon O,O-diethyl O-p-nitrophenyl phosphate Paraoxon diethyl 4-nitrophenyl phosphate diethyl p-nitrophenyl phosphate diethyl paraoxon ethyl paraoxon p-nitrophenyl diethyl phosphate phosphacol phosphoric acid diethyl 4-nitrophenyl ester
envipath:...4408761a5364 envipathM:...4408761a5364 kegg.drug:D10529 keggD:D10529 WYMSBXTXOHUIGT-UHFFFAOYSA-N	Paraoxon
hmdb:HMDB0013035 WYMSBXTXOHUIGT-UHFFFAOYSA-N	Paraoxon Diethyl P nitrophenyl phosphate Diethyl p-nitrophenyl phosphate Diethyl p-nitrophenyl phosphoric acid Diethyl paraoxon Diethyl-P-nitrophenyl phosphate Ethyl paraoxon Fosfakol O,O-Diethyl O-p-nitrophenyl phosphate O,O-Diethyl O-p-nitrophenyl phosphoric acid O,O-Diethyl-O-p-nitrophenylphosphate O,O-Diethyl-O-p-nitrophenylphosphoric acid Phosphacol Phosphate diethyl 4-nitrophenyl ester Phosphate, diethyl-P-nitrophenyl Phosphoric acid diethyl 4-nitrophenyl ester diethyl 4-nitrophenyl phosphate p-Nitrophenyl diethyl phosphate p-Nitrophenyl diethyl phosphoric acid paraoxon
sabiork.compound:8771 sabiorkM:8771 kegg.compound:C06606 keggC:C06606 WYMSBXTXOHUIGT-UHFFFAOYSA-N	Paraoxon O,O-Diethyl-O-p-nitrophenylphosphoric acid
seed.compound:cpd04010 seedM:cpd04010 WYMSBXTXOHUIGT-UHFFFAOYSA-N	Paraoxon O,O-Diethyl-O-p-nitrophenylphosphoric acid O,O-diethyl-O-p-nitrophenylphosphoric acid diethyl paraoxon diethyl-p-nitrophenyl phosphate paraoxon phosphoric acid diethyl 4-nitrophenyl ester
vmhM:prxn vmhmetabolite:prxn WYMSBXTXOHUIGT-UHFFFAOYSA-N	Paraoxon diethyl 4-nitrophenyl phosphate
envipath:...86add5534f40 envipathM:...86add5534f40 WYMSBXTXOHUIGT-UHFFFAOYSA-N	compound 0060868
metacyc.compound:PARAOXON metacycM:PARAOXON WYMSBXTXOHUIGT-UHFFFAOYSA-N	paraoxon O,O-diethyl-O-p-nitrophenylphosphoric acid diethyl paraoxon diethyl-p-nitrophenyl phosphate phosphoric acid diethyl 4-nitrophenyl ester
hmdb:HMDB13035 chebi:25855 chebi:7924 keggC:M_C06606 keggD:M_D10529 seedM:M_cpd04010 vmhM:M_prxn	secondary/obsolete/fantasy identifier