ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Clindamycin

Clindamycin

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)C2=O)C		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C)[C@H]2O[C@H](SC)[C@H](O)C(=O)[C@H]2O)C		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C)[C@H]2O[C@H](SC)C(=O)[C@@H](O)[C@H]2O)C		EAWAG_RULE_BT0002		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C	101592133	EAWAG_RULE_BT0029		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)C(C[C@H](CNC)[C@@H2]CC)=O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)C		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)[C@@H](NC)C[C@H](C=O)[C@@H2]CC)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)C		EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)[C@H]1NC[C@@H](C1)[C@@H2]CC)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C	101276943	EAWAG_RULE_BT0063_PATTERN2		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](N)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)C	53485980	EAWAG_RULE_BT0067_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
C(=O)([C@H]1N(C[C@@H](C1)[C@@H2]CC)C)O	22798271	EAWAG_RULE_BT0067_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C)[C@H]2O[C@H](S(C)=O)[C@H](O)[C@@H](O)[C@H]2O)C	11662169	EAWAG_RULE_BT0162		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H](C([C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)O)C		EAWAG_RULE_BT0243		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C	45116035	EAWAG_RULE_BT0243		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C)[C@H]2OC([C@H](O)[C@@H](O)[C@H]2O)=O)C		EAWAG_RULE_BT0259		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
SC	878	EAWAG_RULE_BT0259		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)[C@@H2]CC)C)[C@H]2O[C@H](S)[C@H](O)[C@@H](O)[C@H]2O)C		EAWAG_RULE_BT0259		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) ⓘ
2.0072	2.16	-19.9281	22.0881		12.36	2.92

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Aliphatic Amines	Fish	96-hr	LC50	64.0849
Aliphatic Amines	Daphnid	48-hr	LC50	7.7828
Aliphatic Amines	Green Algae	96-hr	EC50	6.1894
Neutral Organics	Fish	96-hr	LC50	250.7724
Neutral Organics	Daphnid	48-hr	LC50	144.5093
Neutral Organics	Green Algae	96-hr	EC50	114.4257
Neutral Organics	Fish (SW)	96-hr	LC50	316.0064
Neutral Organics	Mysid	96-hr	LC50	210.7287
Amides	Fish	96-hr	LC50	89.0455
Amides	Daphnid	48-hr	LC50	84.5473
Amides	Green Algae	96-hr	EC50	11.4619
Amides	Fish (SW)	96-hr	LC50	86.3105
Amides	Mysid (SW)	96-hr	LC50	5.7409

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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.