ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Amikacin

Amikacin

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)C=O		EAWAG_RULE_BT0001		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)C3=O)CO		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H](C(=O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)C1=O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)C2=O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)C(=O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H](C(=O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)C(=O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)C([C@H]3O)=O)CO		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C=O)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)CC([C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)=O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CC=O)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO	6032	EAWAG_RULE_BT0067_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C(=O)([C@@H](O)CCN)O	2733929	EAWAG_RULE_BT0067_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H]([C@@H](O)C(N)(C3)O)CO		EAWAG_RULE_BT0218		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](NC(=O)[C@@H](O)CCN)C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)[C@H]3O[C@@H](CC(N)([C@H]3O)O)CO		EAWAG_RULE_BT0218		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1C(C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CN)[C@@H]1O)O)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO		EAWAG_RULE_BT0243		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
NC(=O)[C@@H](O)CCN	55289565	EAWAG_RULE_BT0243		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) ⓘ
-8.7807		-39.9621	31.1814		3.16	0.89

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Aliphatic Amines	Fish	96-hr	LC50	1361542400
Aliphatic Amines	Daphnid	48-hr	LC50	46334696
Aliphatic Amines	Green Algae	96-hr	EC50	456454464
Neutral Organics	Fish	96-hr	LC50	2313970515968
Neutral Organics	Daphnid	48-hr	LC50	485569626112
Neutral Organics	Green Algae	96-hr	EC50	5900815360
Neutral Organics	Fish (SW)	96-hr	LC50	2731038474240
Neutral Organics	Mysid	96-hr	LC50	3.0137667404431E+15
Amides	Fish	96-hr	LC50	42361294848
Amides	Daphnid	48-hr	LC50	210504368128
Amides	Green Algae	96-hr	EC50	100833920
Amides	Fish (SW)	96-hr	LC50	7093404672
Amides	Mysid (SW)	96-hr	LC50	14958877

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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.