ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Chlorpyrifos

Chlorpyrifos

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
ClC=1C(OP(=S)(OCC)OCC)=NC(Cl)=CC1		EAWAG_RULE_BT0029		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
ClC=1C(OP(=S)(OCC)OCC)=NC=C(Cl)C1	20202692	EAWAG_RULE_BT0029		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C=1C(OP(=S)(OCC)OCC)=NC(Cl)=C(Cl)C1		EAWAG_RULE_BT0029		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
ClC=1C(=NC(Cl)=C(Cl)C1)O	23017	EAWAG_RULE_BT0102		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
S=P(O)(OCC)OCC	655	EAWAG_RULE_BT0102		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
ClC=1C(OP(OCC)(OCC)=O)=NC(Cl)=C(Cl)C1	21804	EAWAG_RULE_BT0103_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )

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EPA EPISUITE – Environmental Fate

Predicted log KOW ⓘ	Experimental log KOW ⓘ	Predicted log KAW ⓘ	Predicted log KOA ⓘ	Experimental log KOA ⓘ	BCF (L/kg wet-wt) ⓘ	BAF (L/kg wet-wt) ⓘ
5.1082	4.96	-3.9866	8.9466		870.18	2122.48

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Neutral Organics	Fish	96-hr	LC50	0.6324
Neutral Organics	Daphnid	48-hr	LC50	0.472
Neutral Organics	Green Algae	96-hr	EC50	1.0884
Neutral Organics	Fish (SW)	96-hr	LC50	0.8104
Neutral Organics	Mysid	96-hr	LC50	0.0811
Esters, Monothiophosphates	Fish	96-hr	LC50	0.0507
Esters, Monothiophosphates	Daphnid	48-hr	LC50	0.0002
Esters, Monothiophosphates	Green Algae	96-hr	EC50	0.2145
Esters, Monothiophosphates	Fish (SW)	96-hr	LC50	0.0915
Halopyrdines	Fish	96-hr	LC50	0.7032
Halopyrdines	Daphnid	48-hr	LC50	0.6883

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DISCLAIMER

ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.