ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Erythromycin

Erythromycin

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]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])C)[C@@H]3O[C@@H](C[C@H](N(C)C)C3=O)C		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)(C(=O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])C)[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@H]([C@H](O[C@@H]2O[C@H](C(=O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])C)[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C1O[C@@H](C[C@H](N(C)C)[C@H]1O)C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C1([C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])C)O		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C1[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C1(O[C@@H](C[C@H](N(C)C)[C@H]1O)C)O	12309184	EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@H](C(=O)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])C)[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C1(O[C@H]([C@H](O)[C@](OC)(C1)C)[C@@H3])O	443504	EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@H](C([C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])O)C)[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O=C1O[C@H]([C@H](O)[C@](OC)(C1)C)[C@@H3]	89372150	EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)C(C2)(C)O)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(O)C)[C@@H3])[C@@H3])C)CC)=O)[C@@H3])C)[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C		EAWAG_RULE_BT0023_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@H]([C@H]([C@H](O[C@@H]1O[C@H]([C@H](O)[C@](OC)(C1)C)C)[C@H](C([O-])=O)[C@@H3])C)[C@@](C[C@H](C([C@@H]([C@H]([C@@](C(CC)O)(O)C)O)[C@@H3])=O)[C@@H3])(O)C)[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C		EAWAG_RULE_BT0024_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
O([C@@H]1[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)C([C@@H3])OC(=O)[C@@H](C[C@]1(O)C)[C@@H3])C)CC)=O)[C@@H3])C)[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C		EAWAG_RULE_BT0071		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) ⓘ
2.4783	3.06	-26.6546	29.7146		48.53	9.29

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Aliphatic Amines	Fish	96-hr	LC50	28.3625
Aliphatic Amines	Daphnid	48-hr	LC50	3.8245
Aliphatic Amines	Green Algae	96-hr	EC50	2.4727
Esters	Fish	96-hr	LC50	20.2931
Esters	Daphnid	48-hr	LC50	44.0811
Esters	Green Algae	96-hr	EC50	17.9818
Esters	Fish (SW)	96-hr	LC50	31.0971
Esters	Mysid	96-hr	LC50	20.3137
Esters	Fish	14-day	LC50	679.6511
Neutral Organics	Fish	96-hr	LC50	67.3407
Neutral Organics	Daphnid	48-hr	LC50	42.1681
Neutral Organics	Green Algae	96-hr	EC50	47.0795
Neutral Organics	Fish (SW)	96-hr	LC50	85.3167
Neutral Organics	Mysid	96-hr	LC50	30.923
Ketone alcohols	Fish	96-hr	LC50	5.9244
Ketone alcohols	Daphnid	48-hr	LC50	4.8883
Ketone alcohols	Green Algae	96-hr	EC50	1.6045

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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.