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7722-84-1 CAS HMDB10738 HMDB SMP00028 SMPDB P11245 UniProt C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider SMILES CN1C(=O)NC2=C(NC(=O)N2)C1=O 1.0 Cytochrome P450 2E1 69160 PubChem-compound 7-Methyluric acid Xanthine dehydrogenase/oxidase 1.0 C13747 KEGG Compound 439153 PubChem-compound SMILES O SMILES OO Cytochrome P450 3A4 3-7-DIMETHYLXANTHINE BioCyc Acetyl-CoA GO:0043202 GENE ONTOLOGY Cytochrome P450 1A2 C16353 KEGG Compound 1.14.14.1 false 1.14.14.1 Caffeine + Oxygen + Water → 1,3,7-Trimethyluric acid + Hydrogen peroxide LEFT_TO_RIGHT 1.0 Cytochrome P450 3A4 97287 ChemSpider 1.0 1.0 HMDB03099 HMDB SMILES CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C 6816 PubChem-compound 58-55-9 CAS Lysosomal Lumen C7H8N4O2 Theophylline 180.06473 Hydrogen peroxide CHEBI:15846 ChEBI 13087-49-5 CAS C16365 KEGG Compound Cytochrome P450 2A6 Lysosome BTO:0000759 BRENDA TISSUE ONTOLOGY C16360 KEGG Compound C16361 KEGG Compound HMDB01206 HMDB Xanthine dehydrogenase/oxidase 1.0 C6H6N4O2 7-Methylxanthine 166.04907 108214 PubChem-compound 1.0 1.0 Cytochrome P450 2C8 952 ChemSpider GO:0005829 GENE ONTOLOGY 1.0 2.0 Hydrogen peroxide C8H10N4O2 Caffeine 194.08037 1.0 CH2O Formaldehyde 30.010565 C16359 KEGG Compound HMDB00902 HMDB 1.0 C16355 KEGG Compound C16356 KEGG Compound CHEBI:16908 ChEBI 5-Acetylamino-6-formylamino-3-methyluracil C16358 KEGG Compound P11712 UniProt CHEBI:25858 ChEBI 1.0 4525 ChemSpider CHEBI:16240 ChEBI 1.0 Cytochrome P450 2C9 Hydrogen peroxide 1.0 SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS C7H8N4O2 Paraxanthine 180.06473 Xanthine dehydrogenase/oxidase 5415-44-1 CAS 61660 ChemSpider C16366 KEGG Compound 69726 PubChem-compound 552-62-5 CAS HMDB01423 HMDB FORMALDEHYDE BioCyc Arylamine N-acetyltransferase 2 62926 ChemSpider 1.0 HMDB01426 HMDB Xanthine dehydrogenase/oxidase ReactionCatalysis193 ACTIVATION Cytosol CPD-6641 BioCyc C7H8N4O2 Theobromine 180.06473 58-68-4 CAS 79437 PubChem-compound 1.0 SMILES C=O C7H10N4O3 5-Acetylamino-6-amino-3-methyluracil 198.07529 SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C 692 ChemSpider NAD 1.0 GO:0005764 GENE ONTOLOGY NADH CHEBI:68449 ChEBI C00007 KEGG Compound Oxygen 1.0 Formaldehyde Arylamine N-acetyltransferase 2 C00001 KEGG Compound Cytochrome P450 2E1 1.0 C00004 KEGG Compound C00003 KEGG Compound Liver Cytochrome P450 1A2 ReactionCatalysis1774 ACTIVATION Cytochrome P450 1A2 71754 ChemSpider Theobromine CHEBI:32643 ChEBI ReactionCatalysis1779 ACTIVATION C6H6N4O2 1-Methylxanthine 166.04907 C7H8N4O3 1,7-Dimethyluric acid 196.05965 SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2 7-METHYLXANTHINE BioCyc 62375 ChemSpider HMDB11107 HMDB HMDB11105 HMDB Oxygen HMDB11103 HMDB ReactionCatalysis1771 ACTIVATION NADH ReactionCatalysis1770 ACTIVATION 2.3.1.5 false 2.3.1.5 Acetyl-CoA + Paraxanthine → 5-Acetylamino-6-formylamino-3-methyluracil + Coenzyme A LEFT_TO_RIGHT ReactionCatalysis1773 ACTIVATION ReactionCatalysis1772 ACTIVATION Xanthine dehydrogenase/oxidase 1.0 Coenzyme A C21H28N7O14P2 NAD 664.11694 1.0 83126 PubChem-compound 1-Methylxanthine HMDB01889 HMDB C00010 KEGG Compound 1.0 3,7-Dimethyluric acid CHEBI:691622 ChEBI 1,3,7-Trimethyluric acid P47989 UniProt ReactionCatalysis1788 ACTIVATION CHEBI:48991 ChEBI CHEBI:27732 ChEBI ReactionCatalysis1787 ACTIVATION C21H29N7O14P2 NADH 665.12476 Cytochrome P450 2E1 CHEBI:28946 ChEBI Formaldehyde ReactionCatalysis1780 ACTIVATION ReactionCatalysis1782 ACTIVATION ReactionCatalysis1781 ACTIVATION ReactionCatalysis1784 ACTIVATION 19893-78-8 CAS CHEBI:16842 ChEBI Water SMILES CN1C(=O)NC2=C1C(=O)NC(=O)N2C 53-84-9 CAS C00027 KEGG Compound C00024 KEGG Compound 1.0 SMILES CN1C=NC2=C1C(=O)NC(=O)N2 GO:0005737 GENE ONTOLOGY Cytochrome P450 2A6 BiologicalState28 HMDB01982 HMDB HMDB01860 HMDB HMDB03125 HMDB Endoplasmic Reticulum Endoplasmic Reticulum Membrane CL:0000000 CELL TYPE ONTOLOGY 85438-96-6 CAS SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 5682 ChemSpider SMILES NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O 1.0 CHEBI:1146900 ChEBI HYDROGEN-PEROXIDE BioCyc HMDB02825 HMDB Theobromine 82720 ChemSpider CO-A BioCyc 72-89-9 CAS HMDB01991 HMDB 611-59-6 CAS 763 ChemSpider C21H36N7O16P3S Coenzyme A 767.11523 1-Methylxanthine Water C07481 KEGG Compound NAD C07480 KEGG Compound Cytoplasm CHEBI:68531 ChEBI Cell Cytochrome P450 2C8 784 PubChem-compound ReactionCatalysis211 ACTIVATION 6557 ChemSpider 1.0 C8H10N4O4 5-Acetylamino-6-formylamino-3-methyluracil 226.0702 88299 PubChem-compound SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 388299 ChemSpider 7732-18-5 CAS Paraxanthine 1.0 5-Acetylamino-6-formylamino-3-methyluracil Water 1.0 Cytochrome P450 2C9 Paraxanthine O2 Oxygen 31.98983 C6H6N4O3 7-Methyluric acid 182.04399 GO:0005789 GENE ONTOLOGY 58-08-2 CAS C07130 KEGG Compound CHEBI:68441 ChEBI ReactionCatalysis209 ACTIVATION GO:0005783 GENE ONTOLOGY ReactionCatalysis206 ACTIVATION CHEBI:68444 ChEBI 1,7-Dimethyluric acid ReactionCatalysis203 ACTIVATION ReactionCatalysis204 ACTIVATION ReactionCatalysis201 ACTIVATION ReactionCatalysis202 ACTIVATION 1.14.14.1 false 1.14.14.1 NADH + Oxygen + Paraxanthine → 7-Methylxanthine + Formaldehyde + NAD + Water LEFT_TO_RIGHT Water Reaction705 true 5-Acetylamino-6-formylamino-3-methyluracil → 5-Acetylamino-6-amino-3-methyluracil LEFT_TO_RIGHT ReactionCatalysis200 ACTIVATION 1.14.14.1 false 1.14.14.1 Caffeine + NADH + Oxygen → Formaldehyde + NAD + Paraxanthine + Water LEFT_TO_RIGHT 80220 PubChem-compound 1.14.14.1 false 1.14.14.1 NADH + Oxygen + Theophylline → 1-Methylxanthine + Formaldehyde + NAD + Water LEFT_TO_RIGHT 1.14.14.1 false 1.14.14.1 Caffeine + NADH + Oxygen → Formaldehyde + NAD + Theophylline + Water LEFT_TO_RIGHT BiologicalState10 1.14.14.1 false 1.14.14.1 Caffeine + NADH + Oxygen → Formaldehyde + NAD + Theobromine + Water LEFT_TO_RIGHT 1.0 C00067 KEGG Compound Oxygen 2068 ChemSpider 7782-44-7 CAS BiologicalState18 Cytochrome P450 2C9 2519 PubChem-compound SMILES CN1C2=C(NC=N2)C(=O)N(C)C1=O HMDB01847 HMDB CHEBI:28177 ChEBI CHEBI:149744 ChEBI 9606 TAXONOMY 962 PubChem-compound 1-7-DIMETHYLXANTHINE BioCyc 1.0 P10632 UniProt 392413 ChemSpider 1.0 4687 PubChem-compound SMILES CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O 5893 PubChem-compound HMDB02111 HMDB SMILES O=O BiologicalState9 74994 ChemSpider 1.0 SMILES CN1C(=O)NC2=C1C(=O)NC(=O)N2 1.0 BiologicalState2 CHEBI:15377 ChEBI P05177 UniProt CHEBI:15379 ChEBI 91611 PubChem-compound P08684 UniProt PW000015 PathWhiz 712 PubChem-compound Theophylline 612-37-3 CAS 5236 ChemSpider C7H8N4O3 3,7-Dimethyluric acid 196.05965 HMDB02123 HMDB 7-Methylxanthine Caffeine 68374 PubChem-compound 1-Methyluric acid 2.0 Caffeine HMDB01487 HMDB 33868-03-0 CAS 6136-37-4 CAS 444493 PubChem-compound 7-Methylxanthine 1.0 P05181 UniProt C6H6N4O3 1-Methyluric acid 182.04399 1.0 P11509 UniProt 1.0 Paraxanthine SMILES CN1C=NC2=C1C(=O)NC(=O)N2C SMILES CN1C(=O)NC(N)=C(NC(C)=O)C1=O ACETYL-COA BioCyc 1.0 Cytochrome P450 3A4 H2O Water 18.010565 H2O2 Hydrogen peroxide 34.005478 5-Acetylamino-6-amino-3-methyluracil Oxygen 708-79-2 CAS 83-67-0 CAS NADH BioCyc THF-GLU-N BioCyc NAD BioCyc 1.0 HMDB01377 HMDB 977 PubChem-compound Caffeine Metabolism 2424 ChemSpider 1.0 50-00-0 CAS CHEBI:15351 ChEBI 2153 PubChem-compound HMDB04400 HMDB C8H10N4O3 1,3,7-Trimethyluric acid 210.07529 1.0 SMILES CN1C(=O)NC2=C(NC=N2)C1=O Reaction580 false 1-Methylxanthine + Oxygen + Water → 1-Methyluric acid + Hydrogen peroxide LEFT_TO_RIGHT 1.14.14.1 false 1.14.14.1 Oxygen + Paraxanthine + Water → 1,7-Dimethyluric acid + Hydrogen peroxide LEFT_TO_RIGHT SMILES CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2 5429 PubChem-compound Cytochrome P450 2C8 72464 ChemSpider 85-61-0 CAS 79659 ChemSpider Reaction582 false Oxygen + Theobromine + Water → 3,7-Dimethyluric acid + Hydrogen peroxide LEFT_TO_RIGHT Reaction583 false 7-Methylxanthine + Oxygen + Water → 7-Methyluric acid + Hydrogen peroxide LEFT_TO_RIGHT Cytochrome P450 1A2 Cytochrome P450 1A2 Cytochrome P450 2E1 Arylamine N- acetyltransferase 2 Cytochrome P450 1A2 Cytochrome P450 3A4 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2E1 Cytochrome P450 1A2 Cytochrome P450 1A2 Xanthine dehydrogenase/oxidase Xanthine dehydrogenase/oxidase Cytochrome P450 1A2 Cytochrome P450 3A4 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2E1 Cytochrome P450 1A2 Cytochrome P450 2A6 Xanthine dehydrogenase/oxidase 5-Acetylamino-6-formylamino- 3-methyluracil 5-Acetylamino-6-amino-3- methyluracil Caffeine NADH O 2 Paraxanthine NAD H 2 O Formaldehyde NADH O 2 Theobromine NAD H 2 O Formaldehyde Acetyl-CoA CoA NADH O 2 Theophylline NAD H 2 O Formaldehyde NADH O 2 7-Methylxanthine NAD H 2 O Formaldehyde NADH O 2 1-Methylxanthine NAD H 2 O Formaldehyde H 2 O O 2 1-Methyluric acid H 2 O 2 O 2 H 2 O 7-Methyluric acid H 2 O 2 O 2 H 2 O 1,3,7-Trimethyluric acid H 2 O 2 O 2 H 2 O 1,7-Dimethyluric acid H 2 O 2 H 2 O O 2 3,7-Dimethyluric acid H 2 O 2 Heme Heme Heme Heme Heme Heme Heme Heme Heme Heme FAD 2Fe-2S Molybdopterin FAD 2Fe-2S Molybdopterin Heme Heme Heme Heme Heme Heme Heme FAD 2Fe-2S Molybdopterin Endoplasmic Reticulum ER Membrane ER Lumen Lysosome Lysosomal Lumen Lysosomal Membrane Liver
7722-84-1 CAS HMDB10738 HMDB http://identifiers.org/smpdb/SMP00028 SMPDB P11245 UniProt C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider SMILES CN1C(=O)NC2=C(NC(=O)N2)C1=O 1.0 Cytochrome P450 2E1 69160 PubChem-compound 7-Methyluric acid Xanthine dehydrogenase/oxidase 1.0 C13747 KEGG Compound 439153 PubChem-compound SMILES O SMILES OO Cytochrome P450 3A4 3-7-DIMETHYLXANTHINE BioCyc Acetyl-CoA GO:0043202 GENE ONTOLOGY Cytochrome P450 1A2 C16353 KEGG Compound 1.14.14.1 false 1.14.14.1 Caffeine + Oxygen + Water → 1,3,7-Trimethyluric acid + Hydrogen peroxide LEFT_TO_RIGHT 1.0 Cytochrome P450 3A4 97287 ChemSpider 1.0 1.0 HMDB03099 HMDB SMILES CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C 6816 PubChem-compound 58-55-9 CAS Lysosomal Lumen C7H8N4O2 Theophylline 180.06473 Hydrogen peroxide CHEBI:15846 ChEBI 13087-49-5 CAS C16365 KEGG Compound Cytochrome P450 2A6 Lysosome BTO:0000759 BRENDA TISSUE ONTOLOGY C16360 KEGG Compound C16361 KEGG Compound HMDB01206 HMDB Xanthine dehydrogenase/oxidase 1.0 C6H6N4O2 7-Methylxanthine 166.04907 108214 PubChem-compound 1.0 1.0 Cytochrome P450 2C8 952 ChemSpider GO:0005829 GENE ONTOLOGY 1.0 2.0 Hydrogen peroxide C8H10N4O2 Caffeine 194.08037 1.0 CH2O Formaldehyde 30.010565 C16359 KEGG Compound HMDB00902 HMDB 1.0 C16355 KEGG Compound C16356 KEGG Compound CHEBI:16908 ChEBI 5-Acetylamino-6-formylamino-3-methyluracil C16358 KEGG Compound P11712 UniProt CHEBI:25858 ChEBI 1.0 4525 ChemSpider CHEBI:16240 ChEBI 1.0 Cytochrome P450 2C9 Hydrogen peroxide 1.0 SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS C7H8N4O2 Paraxanthine 180.06473 Xanthine dehydrogenase/oxidase 5415-44-1 CAS 61660 ChemSpider C16366 KEGG Compound 69726 PubChem-compound 552-62-5 CAS HMDB01423 HMDB FORMALDEHYDE BioCyc Arylamine N-acetyltransferase 2 62926 ChemSpider 1.0 HMDB01426 HMDB Xanthine dehydrogenase/oxidase ReactionCatalysis193 ACTIVATION Cytosol CPD-6641 BioCyc C7H8N4O2 Theobromine 180.06473 58-68-4 CAS 79437 PubChem-compound 1.0 SMILES C=O C7H10N4O3 5-Acetylamino-6-amino-3-methyluracil 198.07529 SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C 692 ChemSpider NAD 1.0 GO:0005764 GENE ONTOLOGY NADH CHEBI:68449 ChEBI C00007 KEGG Compound Oxygen 1.0 Formaldehyde Arylamine N-acetyltransferase 2 C00001 KEGG Compound Cytochrome P450 2E1 1.0 C00004 KEGG Compound C00003 KEGG Compound Liver Cytochrome P450 1A2 ReactionCatalysis1774 ACTIVATION Cytochrome P450 1A2 71754 ChemSpider Theobromine CHEBI:32643 ChEBI ReactionCatalysis1779 ACTIVATION C6H6N4O2 1-Methylxanthine 166.04907 C7H8N4O3 1,7-Dimethyluric acid 196.05965 SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2 7-METHYLXANTHINE BioCyc 62375 ChemSpider HMDB11107 HMDB HMDB11105 HMDB Oxygen HMDB11103 HMDB ReactionCatalysis1771 ACTIVATION NADH ReactionCatalysis1770 ACTIVATION 2.3.1.5 false 2.3.1.5 Acetyl-CoA + Paraxanthine → 5-Acetylamino-6-formylamino-3-methyluracil + Coenzyme A LEFT_TO_RIGHT ReactionCatalysis1773 ACTIVATION ReactionCatalysis1772 ACTIVATION Xanthine dehydrogenase/oxidase 1.0 Coenzyme A C21H28N7O14P2 NAD 664.11694 1.0 83126 PubChem-compound 1-Methylxanthine HMDB01889 HMDB C00010 KEGG Compound 1.0 3,7-Dimethyluric acid CHEBI:691622 ChEBI 1,3,7-Trimethyluric acid P47989 UniProt ReactionCatalysis1788 ACTIVATION CHEBI:48991 ChEBI CHEBI:27732 ChEBI ReactionCatalysis1787 ACTIVATION C21H29N7O14P2 NADH 665.12476 Cytochrome P450 2E1 CHEBI:28946 ChEBI Formaldehyde ReactionCatalysis1780 ACTIVATION ReactionCatalysis1782 ACTIVATION ReactionCatalysis1781 ACTIVATION ReactionCatalysis1784 ACTIVATION 19893-78-8 CAS CHEBI:16842 ChEBI Water SMILES CN1C(=O)NC2=C1C(=O)NC(=O)N2C 53-84-9 CAS C00027 KEGG Compound C00024 KEGG Compound 1.0 SMILES CN1C=NC2=C1C(=O)NC(=O)N2 GO:0005737 GENE ONTOLOGY Cytochrome P450 2A6 BiologicalState28 Homo sapiens, Liver, Cell, Lysosomal Lumen HMDB01982 HMDB HMDB01860 HMDB HMDB03125 HMDB Endoplasmic Reticulum Endoplasmic Reticulum Membrane CL:0000000 CELL TYPE ONTOLOGY 85438-96-6 CAS SMILES NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O 5682 ChemSpider SMILES NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O 1.0 CHEBI:1146900 ChEBI HYDROGEN-PEROXIDE BioCyc HMDB02825 HMDB Theobromine 82720 ChemSpider CO-A BioCyc 72-89-9 CAS HMDB01991 HMDB 611-59-6 CAS 763 ChemSpider C21H36N7O16P3S Coenzyme A 767.11523 1-Methylxanthine Water C07481 KEGG Compound NAD C07480 KEGG Compound Cytoplasm CHEBI:68531 ChEBI Cell Cytochrome P450 2C8 784 PubChem-compound ReactionCatalysis211 ACTIVATION 6557 ChemSpider 1.0 C8H10N4O4 5-Acetylamino-6-formylamino-3-methyluracil 226.0702 88299 PubChem-compound SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N 388299 ChemSpider 7732-18-5 CAS Paraxanthine 1.0 5-Acetylamino-6-formylamino-3-methyluracil Water 1.0 Cytochrome P450 2C9 Paraxanthine O2 Oxygen 31.98983 C6H6N4O3 7-Methyluric acid 182.04399 GO:0005789 GENE ONTOLOGY 58-08-2 CAS C07130 KEGG Compound CHEBI:68441 ChEBI ReactionCatalysis209 ACTIVATION GO:0005783 GENE ONTOLOGY ReactionCatalysis206 ACTIVATION CHEBI:68444 ChEBI 1,7-Dimethyluric acid ReactionCatalysis203 ACTIVATION ReactionCatalysis204 ACTIVATION ReactionCatalysis201 ACTIVATION ReactionCatalysis202 ACTIVATION 1.14.14.1 false 1.14.14.1 NADH + Oxygen + Paraxanthine → 7-Methylxanthine + Formaldehyde + NAD + Water LEFT_TO_RIGHT Water Reaction705 true 5-Acetylamino-6-formylamino-3-methyluracil → 5-Acetylamino-6-amino-3-methyluracil LEFT_TO_RIGHT ReactionCatalysis200 ACTIVATION 1.14.14.1 false 1.14.14.1 Caffeine + NADH + Oxygen → Formaldehyde + NAD + Paraxanthine + Water LEFT_TO_RIGHT 80220 PubChem-compound 1.14.14.1 false 1.14.14.1 NADH + Oxygen + Theophylline → 1-Methylxanthine + Formaldehyde + NAD + Water LEFT_TO_RIGHT 1.14.14.1 false 1.14.14.1 Caffeine + NADH + Oxygen → Formaldehyde + NAD + Theophylline + Water LEFT_TO_RIGHT BiologicalState10 Homo sapiens, Liver, Cell, Endoplasmic Reticulum Membrane 1.14.14.1 false 1.14.14.1 Caffeine + NADH + Oxygen → Formaldehyde + NAD + Theobromine + Water LEFT_TO_RIGHT 1.0 C00067 KEGG Compound Oxygen 2068 ChemSpider 7782-44-7 CAS BiologicalState18 Homo sapiens, Cell, Endoplasmic Reticulum Cytochrome P450 2C9 2519 PubChem-compound SMILES CN1C2=C(NC=N2)C(=O)N(C)C1=O HMDB01847 HMDB CHEBI:28177 ChEBI CHEBI:149744 ChEBI 9606 TAXONOMY 962 PubChem-compound 1-7-DIMETHYLXANTHINE BioCyc 1.0 P10632 UniProt 392413 ChemSpider 1.0 4687 PubChem-compound SMILES CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O 5893 PubChem-compound HMDB02111 HMDB SMILES O=O BiologicalState9 Homo sapiens, Cell, Lysosome 74994 ChemSpider 1.0 SMILES CN1C(=O)NC2=C1C(=O)NC(=O)N2 1.0 BiologicalState2 Homo sapiens, Cell, Cytosol CHEBI:15377 ChEBI P05177 UniProt CHEBI:15379 ChEBI 91611 PubChem-compound P08684 UniProt PW000015 PathWhiz 712 PubChem-compound Theophylline 612-37-3 CAS 5236 ChemSpider C7H8N4O3 3,7-Dimethyluric acid 196.05965 HMDB02123 HMDB 7-Methylxanthine Caffeine 68374 PubChem-compound 1-Methyluric acid 2.0 Caffeine HMDB01487 HMDB 33868-03-0 CAS 6136-37-4 CAS 444493 PubChem-compound 7-Methylxanthine 1.0 P05181 UniProt C6H6N4O3 1-Methyluric acid 182.04399 1.0 P11509 UniProt 1.0 Paraxanthine SMILES CN1C=NC2=C1C(=O)NC(=O)N2C SMILES CN1C(=O)NC(N)=C(NC(C)=O)C1=O ACETYL-COA BioCyc 1.0 Cytochrome P450 3A4 H2O Water 18.010565 H2O2 Hydrogen peroxide 34.005478 5-Acetylamino-6-amino-3-methyluracil Oxygen 708-79-2 CAS 83-67-0 CAS NADH BioCyc THF-GLU-N BioCyc NAD BioCyc 1.0 HMDB01377 HMDB 977 PubChem-compound Caffeine Metabolism 2424 ChemSpider 1.0 50-00-0 CAS CHEBI:15351 ChEBI 2153 PubChem-compound HMDB04400 HMDB C8H10N4O3 1,3,7-Trimethyluric acid 210.07529 1.0 SMILES CN1C(=O)NC2=C(NC=N2)C1=O Reaction580 false 1-Methylxanthine + Oxygen + Water → 1-Methyluric acid + Hydrogen peroxide LEFT_TO_RIGHT 1.14.14.1 false 1.14.14.1 Oxygen + Paraxanthine + Water → 1,7-Dimethyluric acid + Hydrogen peroxide LEFT_TO_RIGHT SMILES CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2 5429 PubChem-compound Cytochrome P450 2C8 72464 ChemSpider 85-61-0 CAS 79659 ChemSpider Reaction582 false Oxygen + Theobromine + Water → 3,7-Dimethyluric acid + Hydrogen peroxide LEFT_TO_RIGHT Reaction583 false 7-Methylxanthine + Oxygen + Water → 7-Methyluric acid + Hydrogen peroxide LEFT_TO_RIGHT