| C=1N=C(NC(C)C)N=C(NCC)N1 |
6451759 |
EAWAG_RULE_BT0029 |
|
Unspecified environmental bacterial enzyme |
ENVMICRO (Biotransformer3
) |
|
| ClC=1N=C(NC(C)C)N=C(N)N1 |
22563 |
EAWAG_RULE_BT0063_PATTERN2 |
|
Unspecified environmental bacterial enzyme |
ENVMICRO (Biotransformer3
) |
|
| O=CC |
177 |
EAWAG_RULE_BT0063_PATTERN2 |
|
Unspecified environmental bacterial enzyme |
ENVMICRO (Biotransformer3
) |
|
| ClC=1N=C(N)N=C(NCC)N1 |
13878 |
EAWAG_RULE_BT0063_PATTERN2 |
|
Unspecified environmental bacterial enzyme |
ENVMICRO (Biotransformer3
) |
|
| C(C)(C)=O |
180 |
EAWAG_RULE_BT0063_PATTERN2 |
|
Unspecified environmental bacterial enzyme |
ENVMICRO (Biotransformer3
) |
|
| C=1(N=C(NC(C)C)N=C(NCC)N1)O |
16553 |
EAWAG_RULE_BT0330_PATTERN4 |
|
Unspecified environmental bacterial enzyme |
ENVMICRO (Biotransformer3
) |
|
| CCNC1=NC(=NC(=N1)N)Cl |
13878 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Deisopropylation]>CCNC1=NC(=NC(=N1)N)Cl Atrazine to Deisopropylatrazine |
|
Danio rerio (REFTPS
) |
Deisopropylation |
| CC(C)NC1=NC(=NC(=N1)N)Cl |
22563 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[N-dealkylation]>CC(C)NC1=NC(=NC(=N1)N)Cl Atrazine to Deethylatrazine |
|
Danio rerio (REFTPS
) |
N-dealkylation |
| CCNC1=NC(=NC(=N1)Cl)NC(C)CO |
15818023 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Oxidation]>CCNC1=NC(=NC(=N1)Cl)NC(C)CO Atrazine to (Hydroxy-isopropyl)-atrazine |
|
Danio rerio (REFTPS
) |
Oxidation |
| CCNc1nc(nc(n1)SCCC(=O)NCC(O)=O)NC(C)C |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[GSH-conjugation]>CCNc1nc(nc(n1)SCCC(=O)NCC(O)=O)NC(C)C Atrazine to Atrazine-GSH-conjugate |
|
Danio rerio (REFTPS
) |
GSH-conjugation |
| CCNc1nc(ncn1)N |
35229 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Deisopropylation/dechlorination]>CCNc1nc(ncn1)N Atrazine to Dechloro-disopropyl atrazine |
|
Danio rerio (REFTPS
) |
Deisopropylation/dechlorination |
| CCNC1=NC(=O)NC(=N1)NC(C)C |
135398733 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Oxidative_dechlorination]>CCNC1=NC(=O)NC(=N1)NC(C)C Atrazine to 2-Hydroxyatrazine |
|
Danio rerio (REFTPS
) |
Oxidative_dechlorination |
| CCNc1nc(nc(n1)S)NC(C)C |
1233632 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Thiol_substitution]>CCNc1nc(nc(n1)S)NC(C)C Atrazine to S-Desmethyl Ametryn |
|
Danio rerio (REFTPS
) |
Thiol_substitution |
| NC1=NC(NC(C)C)=NC(Cl)=N1 |
22563 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dealkylation]>NC1=NC(NC(C)C)=NC(Cl)=N1 atrazine to DEA |
CYP450 |
Fish (common carp) (REFTPS
) |
Dealkylation |
| CCNC1=NC(N)=NC(Cl)=N1 |
13878 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dealkylation]>CCNC1=NC(N)=NC(Cl)=N1 atrazine to DIA |
CYP450 |
Fish (common carp) (REFTPS
) |
Dealkylation |
| CCNC1=NC(NC(C)C)=NC(O)=N1 |
135398733 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Oxidation]>CCNC1=NC(NC(C)C)=NC(O)=N1 atrazine to 2-HA |
IYD;CYP450 |
Fish (common carp) (REFTPS
) |
Dechlorination/Oxidation |
| CC(O)NC1=NC(NC(C)C)=NC(Cl)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Oxidation]>CCN(O)C1=NC(NC(C)C)=NC(Cl)=N1 or CC(O)NC1=NC(NC(C)C)=NC(Cl)=N1 atrazine to OH-ATZ |
CYP450 |
Fish (common carp) (REFTPS
) |
Oxidation |
| CCNC1=NC(NC(C)C)=NC=N1 |
6451759 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination]>CCNC1=NC(NC(C)C)=NC=N1 atrazine to DClA |
IYD |
Fish (common carp) (REFTPS
) |
Dechlorination |
| C/C=N/C1=NC(NC(C)C)=NC(Cl)=N1 |
101004677 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Desaturation]>C/C=N/C1=NC(NC(C)C)=NC(Cl)=N1 atrazine to DHA |
CYP450 |
Fish (common carp) (REFTPS
) |
Desaturation |
| CCNC1=NC(NC(C)C)=NC(OC)=N1 |
15359 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Oxidation/Methylated conjugation]>CCNC1=NC(NC(C)C)=NC(OC)=N1 atrazine to Atra to n |
CYP450 |
Fish (common carp) (REFTPS
) |
Dechlorination/Oxidation/Methyl conjugation |
| CCN(C)C1=NC(NC(C)C)=NC(Cl)=N1 |
90806131 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Methylated conjugation]>CCN(C)C1=NC(NC(C)C)=NC(Cl)=N1 atrazine to N-Me-ATZ |
CYP450 |
Fish (common carp) (REFTPS
) |
Methyl conjugation |
| CC(C)NC1=NC(Cl)=NC(NC)=N1 |
18153 |
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dealkylation/Methylated conjugation]>CC(C)NC1=NC(Cl)=NC(NC)=N1 atrazine to Norazine |
CYP450 |
Fish (common carp) (REFTPS
) |
Dealkylation/Methyl conjugation |
| CCNC1=NC(NC(C)C)=NC(OC2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Oxidation/Glucuronide conjugation]>CCNC1=NC(NC(C)C)=NC(OC2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)=N1 atrazine to 2-HA+Glc-H2O |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Dechlorination/Oxidation/Glucuronide conjugation |
| CCNC1=NC(NC(C)C)=NC(OC2OC(C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Oxidation/Glucuronide conjugation/Glucuronidation]>CCNC1=NC(NC(C)C)=NC(OC2OC(C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=N1 atrazine to 2-HA+GlcA-H2O |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Dechlorination/Oxidation/Glucuronidation |
| CCNC1=NC(NC(C)C)=NC([C@@H]2O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Oxidation/Glucoside conjugation/Glucuronidation]>CCNC1=NC(NC(C)C)=NC([C@@H]2O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=N1 atrazine to 2-HA+GlcA |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Dechlorination/Oxidation/Glucoside conjugation |
| CCN(C1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C2=NC(NC(C)C)=NC(Cl)=N2 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Desaturation/Glucoside conjugation]>CCN(C1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C2=NC(NC(C)C)=NC(Cl)=N2 atrazine to DHA+Glc |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Desaturation/Glucoside conjugation |
| CCN(C1O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]1O)C2=NC(NC(C)C)=NC(Cl)=N2 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Desaturation/Glucoside conjugation/Glucuronidation]>CCN(C1O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]1O)C2=NC(NC(C)C)=NC(Cl)=N2 atrazine to DHA+GlcA |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Desaturation/Glucoside conjugation |
| CC(O)N(C1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C2=NC(NC(C)C)=NC(Cl)=N2 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Desaturation/Oxidation/Glucoside conjugation]>CC(O)N(C1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C2=NC(NC(C)C)=NC(Cl)=N2 atrazine to DHA+Glc+O |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Desaturation/Oxidation/Glucoside conjugation |
| NC1=NC(Cl)=NC(NC2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dealkylation/Glucoside conjugation]>NC1=NC(Cl)=NC(NC2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)=N1 atrazine to DACT+Glc |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Dealkylation/Glucoside conjugation |
| NC1=NC(Cl)=NC(NC2O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dealkylation/Glucoside conjugation/Glucuronidation]>NC1=NC(Cl)=NC(NC2O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=N1 atrazine to DACT+GlcA |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Dealkylation/Glucoside conjugation |
| ClC1=NC(NC2O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=NC(NO)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dealkylation/Oxidation/Glucoside conjugation/Glucuronidation]>ClC1=NC(NC2O[C@@H](C(O)=O)[C@H](O)[C@H](O)[C@@H]2O)=NC(NO)=N1 atrazine to DACT+GlcA+O |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Dealkylation/Oxidation/Glucoside conjugation |
| NC1=NC(N[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)=NC=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Dealkylation/Glucoside conjugation]>NC1=NC(N[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)=NC=N1 atrazine to DACT-HCl+Glc |
CYP450;UGT |
Fish (common carp) (REFTPS
) |
Dechlorination/Dealkylation/Glucoside conjugation |
| CCNC1=NC(NC(C)C)=NC(O)(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Oxidation/Glutathione conjugation]>CCNC1=NC(NC(C)C)=NC(O)(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)N1 atrazine to 2-HA+GSH |
CYP450;GST |
Fish (common carp) (REFTPS
) |
Dechlorination/Oxidation/Glutathione conjugation |
| CCNC1=NC(NC(C)C)=NC(O)(SCC(N)C(NCC(O)=O)=O)N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Oxidation/Cysteinylglycine conjugation]>CCNC1=NC(NC(C)C)=NC(O)(SCC(N)C(NCC(O)=O)=O)N1 atrazine to 2-HA+Cys/Gly |
CYP450;GST |
Fish (common carp) (REFTPS
) |
Dechlorination/Oxidation/Cysteinylglycine conjugation |
| CCNC1=NC(NC(C)C)=NC(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Glutathione conjugation]>CCNC1=NC(NC(C)C)=NC(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)=N1 atrazine to ATZ-HCl+GSH |
CYP450;GST |
Fish (common carp) (REFTPS
) |
Dechlorination/Glutathione conjugation |
| CCNC1=NC(NC(C)C)=NC(SCC(N)C(O)=O)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Dechlorination/Cysteine conjugation]>CCNC1=NC(NC(C)C)=NC(SCC(N)C(O)=O)=N1 atrazine to ATZ-HCl+Cys |
CYP450;GST |
Fish (common carp) (REFTPS
) |
Dechlorination/Cysteine conjugation |
| CC(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)NC1=NC(NC(C)C)=NC(Cl)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Desaturation/Glutathione conjugation]>CC(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)NC1=NC(NC(C)C)=NC(Cl)=N1 atrazine to DHA+GSH |
CYP450;GST |
Fish (common carp) (REFTPS
) |
Desaturation/Glutathione conjugation |
| CC(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)N(O)C1=NC(NC(C)C)=NC(Cl)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Desaturation/Oxidation/Glutathione conjugation]>CC(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)N(O)C1=NC(NC(C)C)=NC(Cl)=N1 atrazine to DHA+GSH+O |
CYP450;GST |
Fish (common carp) (REFTPS
) |
Desaturation/Oxidation/Glutathione conjugation |
| CC(SCC(N)C(NCC(O)=O)=O)NC1=NC(NC(C)C)=NC(Cl)=N1 |
|
|
CCNC1=NC(=NC(=N1)Cl)NC(C)C>[Desaturation/Cysteinylglycine conjugation]>CC(SCC(N)C(NCC(O)=O)=O)NC1=NC(NC(C)C)=NC(Cl)=N1 atrazine to DHA+Cys/Gly |
CYP450;GST |
Fish (common carp) (REFTPS
) |
Desaturation/Cysteinylglycine conjugation |
| NC1=NC(NC(C)C)=NC(Cl)=N1 |
22563 |
|
|
|
tilapia (REFTPS
) |
Dealkylation |
| NC1=NC(NC(C)C)=NC(Cl)=N1 |
22563 |
|
|
|
common carp (REFTPS
) |
Dealkylation |
| NC1=NC(NC(C)C)=NC(Cl)=N1 |
22563 |
|
|
|
Zebrafish (REFTPS
) |
Dealkylation |
| NC1=NC(NC(C)C)=NC(Cl)=N1 |
22563 |
|
|
|
Chinese ink carp (REFTPS
) |
Dealkylation |
| CCNC1=NC(N)=NC(Cl)=N1 |
13878 |
|
|
|
common carp (REFTPS
) |
Dealkylation |
| CCNC1=NC(N)=NC(Cl)=N1 |
13878 |
|
|
|
grass carp (REFTPS
) |
Dealkylation |
| CCNC1=NC(N)=NC(Cl)=N1 |
13878 |
|
|
|
tilapia (REFTPS
) |
Dealkylation |
| CCNC1=NC(N)=NC(Cl)=N1 |
13878 |
|
|
|
crucian carp (REFTPS
) |
Dealkylation |
| CCNC1=NC(N)=NC(Cl)=N1 |
13878 |
|
|
|
Zebrafish (REFTPS
) |
Dealkylation |
| CCNC1=NC(N)=NC(Cl)=N1 |
13878 |
|
|
|
Chinese ink carp (REFTPS
) |
Dealkylation |
| CCNC1=NC(NC(C)C)=NC(O)=N1 |
135398733 |
|
|
|
common carp (REFTPS
) |
Dechlorination/Oxidation |
| CCNC1=NC(NC(C)C)=NC(SCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)=N1 |
|
|
|
|
Zebrafish (REFTPS
) |
Dechlorination/Glutathione conjugation |
