ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Benzalkonium bromide

Benzalkonium bromide

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=C1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(OC)=O)C=O)[C@@]1(O)C(OC)=O)CC=C2)CC		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
CC(O)=O	176	EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(OC)=O)C=O)[C@@]1(O)C(=O)O)CC=C2)CC)C(=O)C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(=O)O)C=O)[C@@]1(O)C(OC)=O)CC=C2)CC)C(=O)C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(C5)O)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(OC)=O)C=O)[C@@]1(O)C(OC)=O)CC=C2)CC)C(=O)C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(OC)=O)C=O)[C@@]1(O)C([O-])=O)CC=C2)CC)C(=O)C		EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
CO	887	EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C([O-])=O)C=O)[C@@]1(O)C(OC)=O)CC=C2)CC)C(=O)C		EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
[O-]C(=O)C	175	EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C1([C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(OC)=O)C=O)[C@@]1(O)C(OC)=O)CC=C2)CC)O		EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](N(C=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(OC)=O)C=O)[C@@]1(O)C(OC)=O)CCC2)CC)C(=O)C		EAWAG_RULE_BT0291_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@]2([C@@H]3N(C[C@H2][C@]34[C@@H](NC=5C4=CC(=C(OC)C5)[C@]6(C[C@H]7C[C@](O)(CN(C7)CCC8=C6NC=9C8=CC=CC9)CC)C(OC)=O)[C@@]1(O)C(OC)=O)CC=C2)CC)C(=O)C	100953809	EAWAG_RULE_BT0430		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C([O-])=O	283	EAWAG_RULE_BT0430		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )

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EPA EPISUITE – Environmental Fate

No EPISUITE data available.

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EPA ECOSAR – Aquatic Toxicity

No ECOSAR data available.

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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.