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

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chlorpyrifos

	Properties	Image
MNX_ID	MNXM46520
reference	chebi:34631
formula	C₉H₁₁Cl₃NO₃PS
global charge	0
mol weight	350.591
InChIKey	SBPBAQFWLVIOKP-UHFFFAOYSA-N
InChI	InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
SMILES	CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl

MNX internals

InChI (mnx)	InChI=1/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][O:14][P:17]([O:15][CH2:4][CH3:2])([O:16][C:9]1=[C:7]([Cl:11])[CH:5]=[C:6]([Cl:10])[C:8]([Cl:12])=[N:13]1)=[S:18]

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:34631 chebi:34631 SBPBAQFWLVIOKP-UHFFFAOYSA-N	chlorpyrifos Bolton Brodan Chlorpyrifos Chlorpyrifos-ethyl Chlorpyriphos Cobalt Detmol Dowco 179 Dursban Empire Equity Eradex Lentrek Lock-On Lorsban Nufos O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester Piridane Stipend Tricel Trichlorpyrphos Warhawk chlorpyrifos ethyl m-Chlorpyrifos o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate
kegg.drug:D07688 keggD:D07688 SBPBAQFWLVIOKP-UHFFFAOYSA-N	Chlorpyrifos (BAN) Zodiac (TN)
hmdb:HMDB0041856 SBPBAQFWLVIOKP-UHFFFAOYSA-N	Chlorpyrifos Bolton Bonidel Brodan Chloropyrifos Chloropyriphos Chlorpyrifos ethyl Chlorpyrifos-ethyl Chlorpyriphos Chlorpyriphos-ethyl Chlorpyrofos Chlorpyrophos Cobalt Coroban Danusban Detmol Detmol u.a. Dowco 179 Durmet Dursban Dursban 10CR Dursban 2E Dursban 4E Dursban F Dursban R Empire Empire 20 Equity Eradex Ethyl chlorpyriphos Geodinfos Killmaster Lentrek Lock-ON Lorsban Nufos O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat O,O-Diethyl O-(3,5,6-trichloro-2-pyridinyl)phosphorothioate O,O-Diethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate O,O-Diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate O,O-Diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate O,O-Diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphoric acid O,O-Diethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate O,O-Diethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioic acid O,O-diethyl O-3,5,6-trichloropyridin-2-yl phosphorothioate Pageant Phosphorothioate, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester Piridane Pyrinex Radar Silrifos Spannit Stipend SuSCon Suscon blue Suscon green Tafaban Terial Tricel Trichlorpyrphos Warhawk Zidil Zodiac m-Chlorpyrifos terial
kegg.compound:C14322 keggC:C14322 SBPBAQFWLVIOKP-UHFFFAOYSA-N	Chlorpyrifos Chlorpyriphos
seed.compound:cpd10021 seedM:cpd10021 SBPBAQFWLVIOKP-UHFFFAOYSA-N	Chlorpyrifos Chlorpyriphos chlorpyrifos coroban dursban pridane trichlorpyrphos
metacyc.compound:CPD-8963 metacycM:CPD-8963 SBPBAQFWLVIOKP-UHFFFAOYSA-N	chlorpyrifos O,O-diethyl-O-(3,5,6-trichloro-2-pyridinol)phosphorothioate coroban dursban pridane trichlorpyrphos
envipath:...4c9f7c362ebd envipathM:...4c9f7c362ebd SBPBAQFWLVIOKP-UHFFFAOYSA-N	compound 0048739
hmdb:HMDB41856 keggC:M_C14322 keggD:M_D07688 seedM:M_cpd10021	secondary/obsolete/fantasy identifier