ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Vidarabine

Vidarabine

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
O1[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@@H](O)[C@H](O)[C@H]1C=O		EAWAG_RULE_BT0001		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@@H](O)C(=O)[C@H]1[C@@H2]O		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1[C@@H](N2C3=NC=NC(N)=C3N=C2)C(=O)[C@H](O)[C@H]1[C@@H2]O	71408349	EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O1C([C@@H](O)[C@H](O)[C@H]1[C@@H2]O)=O	17723	EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
N1C2=NC=NC(N)=C2N=C1	190	EAWAG_RULE_BT0063_PATTERN2		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) ⓘ
-1.3794	-1.11	-20.3422	19.2322		3.16	0.89

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Anilines (Unhindered)	Fish	96-hr	LC50	3090.4338
Anilines (Unhindered)	Daphnid	48-hr	LC50	17.4075
Anilines (Unhindered)	Green Algae	96-hr	EC50	77.7854
Anilines (Unhindered)	Mysid	96-hr	LC50	2607.7942
Neutral Organics	Fish	96-hr	LC50	136333.4844
Neutral Organics	Daphnid	48-hr	LC50	58088.6484
Neutral Organics	Green Algae	96-hr	EC50	13199.375
Neutral Organics	Fish (SW)	96-hr	LC50	168467.6406
Neutral Organics	Mysid	96-hr	LC50	1029386.5625
Imidazoles	Fish	96-hr	LC50	17003.4219
Imidazoles	Daphnid	48-hr	LC50	1302.3608
Imidazoles	Green Algae	96-hr	EC50	34.8623
Imidazoles	Mysid (SW)	96-hr	LC50	110.6255

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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.