ReCAnt | Resource on Chemicals Used in Aquaculture and Their Ecotoxicity

Abietic acid

Abietic acid

Biotransformation Network EPA EPISUITE EPA ECOSAR

Biotransformation Network

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Successor SMILES	Successor PubChem ID	Reaction Name	Reaction SMILES	Enzyme	Biosystem	Transformation
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)C=C(CC3)C(C)C)(C(CC1)O)C)C	69730193	EAWAG_RULE_BT0242_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)C=C(CC3)C(C)C)(CC(C1)O)C)C	69872638	EAWAG_RULE_BT0242_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)C=C(CC3)C(C)C)(CCC1O)C)C		EAWAG_RULE_BT0242_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)C=C(CC3O)C(C)C)(CCC1)C)C		EAWAG_RULE_BT0242_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)CC(CC3)C(C)C)(CCC1)C)C	101357657	EAWAG_RULE_BT0291_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(CC2)C=C(CC3)C(C)C)(CCC1)C)C		EAWAG_RULE_BT0291_PATTERN1		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1(C2([C@@]([C@@H]3C(=CC2)C=C(CC3)C(C)C)(CCC1)C)O)C		EAWAG_RULE_BT0241		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@](C3(C(=CC2)C=C(CC3)C(C)C)O)(CCC1)C)C		EAWAG_RULE_BT0241		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)C=C(CC3)C(C)(C)O)(CCC1)C)C	643004	EAWAG_RULE_BT0241		Unspecified environmental bacterial enzyme	ENVMICRO (Biotransformer3 )
OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=CC2)C=C(CC3)C(C)CO)(CCC1)C)C		EAWAG_RULE_BT0333		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) ⓘ
6.4607		-3.5585	10.0192		56.23	694233.97

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EPA ECOSAR – Aquatic Toxicity

QSAR Class	Organism	Duration	Endpoint	Concentration (mg/L)
Rosins	Fish	96-hr	LC50	1.1694
Rosins	Daphnid	48-hr	LC50	2.0027
Rosins	Green Algae	96-hr	EC50	5.1936

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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.