ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Clarithromycin

Clarithromycin

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(OC)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(OC)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(OC)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(OC)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(OC)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(OC)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	5276710	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@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](CC1(C)O)[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	10034134	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(OC)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(OC)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])(OC)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(OC)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) ⓘ
3.1776	3.16	-27.1493	30.3093		56.49	15.32

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Aliphatic Amines	Fish	96-hr	LC50	24.8465
Aliphatic Amines	Daphnid	48-hr	LC50	3.3896
Aliphatic Amines	Green Algae	96-hr	EC50	2.1417
Esters	Fish	96-hr	LC50	17.9974
Esters	Daphnid	48-hr	LC50	38.8109
Esters	Green Algae	96-hr	EC50	15.5358
Esters	Fish (SW)	96-hr	LC50	27.3969
Esters	Mysid	96-hr	LC50	17.6288
Esters	Fish	14-day	LC50	524.6595
Neutral Organics	Fish	96-hr	LC50	55.8071
Neutral Organics	Daphnid	48-hr	LC50	35.27
Neutral Organics	Green Algae	96-hr	EC50	40.9104
Neutral Organics	Fish (SW)	96-hr	LC50	70.7466
Neutral Organics	Mysid	96-hr	LC50	23.9626
Ketone alcohols	Fish	96-hr	LC50	5.1344
Ketone alcohols	Daphnid	48-hr	LC50	4.3106
Ketone alcohols	Green Algae	96-hr	EC50	1.4333

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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.