ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Oxacillin

Oxacillin

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
S1[C@H]2N([C@H](C1(C)C)C(O)=O)C(=O)[C@H]2N	11082	EAWAG_RULE_BT0067_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C(=O)(C=1C(=NOC1C)C2=CC=CC=C2)O	14343	EAWAG_RULE_BT0067_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
S1([C@H]2N([C@H](C1(C)C)C(O)=O)C(=O)[C@H]2NC(=O)C=3C(=NOC3C)C4=CC=CC=C4)=O	13175846	EAWAG_RULE_BT0162		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
S1[C@H]2N([C@H](C1(C)C)C(O)=O)C(=O)C2O	67877203	EAWAG_RULE_BT0243		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
NC(=O)C=1C(=NOC1C)C2=CC=CC=C2	644844	EAWAG_RULE_BT0243		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
SC([C@@H](N1C([C@@H](C1=O)NC(=O)C=2C(=NOC2C)C3=CC=CC=C3)=O)C(O)=O)(C)C		EAWAG_RULE_BT0259		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
S1[C@@H](N[C@H](C1(C)C)C(O)=O)[C@@H](C(=O)[O-])NC(=O)C=2C(=NOC2C)C3=CC=CC=C3		EAWAG_RULE_BT0430		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) ⓘ
2.5736	2.38	-14.9826	17.3626		3.16	9.39

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Neutral Organics	Fish	96-hr	LC50	1502.9432
Neutral Organics	Daphnid	48-hr	LC50	883.8539
Neutral Organics	Green Algae	96-hr	EC50	761.175
Neutral Organics	Fish (SW)	96-hr	LC50	1896.4025
Neutral Organics	Mysid	96-hr	LC50	1089.5179
Amides	Fish	96-hr	LC50	566.4591
Amides	Daphnid	48-hr	LC50	520.2385
Amides	Green Algae	96-hr	EC50	79.0061
Amides	Fish (SW)	96-hr	LC50	568.7936
Amides	Mysid (SW)	96-hr	LC50	40.5522

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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.