ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Sulfadiazine

Sulfadiazine

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
S(=O)(=O)(NC=1N=CC=CN1)C2=C(C(=C(N)C=C2)O)O		EAWAG_RULE_BT0005_PATTERN3		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
S(=O)(=O)(C1=CC=C(N)C=C1)[O-]	3335443	EAWAG_RULE_BT0144		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
NC=1N=CC=CN1	7978	EAWAG_RULE_BT0144		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
CNS(=O)(=O)C1=CC=C(N)C=C1	74368		C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N>>CNS(=O)(=O)C1=CC=C(N)C=C1		Biotic environment (REFTPS )	Environmental
O=CNC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1	101436677		C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N>>O=CNC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1		Abiotic environment (REFTPS )	Environmental
NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=C(O)C=N1	462434		C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N>>NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=C(O)C=N1		Biotic environment (REFTPS )	Environmental
C1=CC=C(C=C1)S(=O)(=O)O	7371		C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N>>C1=CC=C(C=C1)S(=O)(=O)O		Environment (REFTPS )	Environmental

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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) ⓘ
-0.3377	-0.09	-8.1892	8.0992		3.16	0.96

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Anilines (Unhindered)	Fish	96-hr	LC50	624.701
Anilines (Unhindered)	Daphnid	48-hr	LC50	8.9231
Anilines (Unhindered)	Green Algae	96-hr	EC50	33.4251
Anilines (Unhindered)	Mysid	96-hr	LC50	405.7871
Neutral Organics	Fish	96-hr	LC50	15489.9248
Neutral Organics	Daphnid	48-hr	LC50	7251.7056
Neutral Organics	Green Algae	96-hr	EC50	2432.3062
Neutral Organics	Fish (SW)	96-hr	LC50	19258.1816
Neutral Organics	Mysid	96-hr	LC50	58964.8672
Amides	Fish	96-hr	LC50	2989.2083
Amides	Daphnid	48-hr	LC50	3989.0474
Amides	Green Algae	96-hr	EC50	169.3559
Amides	Fish (SW)	96-hr	LC50	2019.2181
Amides	Mysid (SW)	96-hr	LC50	66.047

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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.