ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Neomycin

Neomycin

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](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)C=O		EAWAG_RULE_BT0001		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)C3=O)[C@@H2]O		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)C(=O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H](C(=O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)C1=O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)C(=O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H](C(=O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)C=O)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)C4=O)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)CC([C@@H]1O)=O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)C(C[C@@H](N)[C@@H]1O)=O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)C=O)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)C2=O)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)CC4(N)O)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0218		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CN)[C@@H](N)CC(N)(C1)O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0218		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)CC2(N)O)CN)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4N)CN)[C@H]3O)[C@@H2]O		EAWAG_RULE_BT0218		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) ⓘ
-9.4114		-32.2754	22.864		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	3710404864
Aliphatic Amines	Daphnid	48-hr	LC50	117340128
Aliphatic Amines	Green Algae	96-hr	EC50	1336423552
Neutral Organics	Fish	96-hr	LC50	8949738766336
Neutral Organics	Daphnid	48-hr	LC50	1771791581184
Neutral Organics	Green Algae	96-hr	EC50	16924007424
Neutral Organics	Fish (SW)	96-hr	LC50	10523033731072
Neutral Organics	Mysid	96-hr	LC50	1.7802192765321E+16

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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.