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7722-84-1 CAS Cytochrome P450 2D6 937 ChemSpider CHEBI:16134 ChEBI 439153 PubChem-compound 1.0 SMILES O SMILES OO H3N Ammonia 17.026548 Citalopram Metabolism Pathway Citalopram inhibition of Sodium-dependent serotonin transporter InhibitorySubPathway P31645 UniProt Cytochrome P450 3A7 HMDB05038 HMDB Amine oxidase [flavin-containing] B Ammonia Water PW000603 PathWhiz CHEBI:15846 ChEBI Citalopram propionic acid 62498-67-3 CAS P33261 UniProt C00218 KEGG Compound C18H14FNO3 Citalopram propionic acid 311.09576 BTO:0000759 BRENDA TISSUE ONTOLOGY P24462 UniProt 1.0 952 ChemSpider HMDB60462 HMDB 1.4.3.4 false 1.4.3.4 Didemethylcitalopram + Oxygen + Water → Ammonia + Citalopram aldehyde + Hydrogen peroxide LEFT_TO_RIGHT Hydrogen peroxide HMDB60463 HMDB 1.0 CH2O Formaldehyde 30.010565 1.0 Amine oxidase [flavin-containing] A 1.0 HMDB00902 HMDB CHEBI:16908 ChEBI Amine oxidase [flavin-containing] A C20H21FN2O2 Citalopram N-oxide 340.1587 CHEBI:16240 ChEBI 8243682 ChemSpider 1.0 Cytochrome P450 2C19 1.0 Mitochondrion 9944000 PubChem-compound Cytochrome P450 3A7 FORMALDEHYDE BioCyc SMILES FC1=CC=C(C=C1)C1(CCC=O)OCC2=C1C=CC(=C2)C#N HMDB01426 HMDB CPD-6641 BioCyc 217 ChemSpider 1.0 58-68-4 CAS Water SMILES C=O 692 ChemSpider 1.0 GO:0005886 GENE ONTOLOGY BiologicalState73 59729-33-8 CAS NADH C00007 KEGG Compound Oxygen 674 PubChem-compound 62498-69-5 CAS Formaldehyde C00001 KEGG Compound Sodium-dependent serotonin transporter SubPathwayInhibition SMILES NCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 C00004 KEGG Compound 2771 PubChem-compound C00003 KEGG Compound Liver HMDB60472 HMDB 1.0 Reaction2010 false Citalopram aldehyde + Oxygen + Water → Citalopram propionic acid + Hydrogen peroxide LEFT_TO_RIGHT 7664-41-7 CAS Citalopram SubPathwayInhibitor C20H21FN2O Citalopram 324.1638 1.0 Oxygen CHEBI:16830 ChEBI C21H28N7O14P2 NAD 664.11694 CL:0000540 CELL TYPE ONTOLOGY CHEBI:586865 ChEBI Neuron 10403174 PubChem-compound 222 PubChem-compound Oxygen C00014 KEGG Compound Methylammonium SubPathwayControl529 InhibitorySubPathwayControl SubPathway529Control C21H29N7O14P2 NADH 665.12476 Hydrogen peroxide P21397 UniProt C07572 KEGG Compound Aldehyde oxidase 1.0 1.14.14.1 false 1.14.14.1 Citalopram + Oxygen + Water → Citalopram N-oxide + Hydrogen peroxide LEFT_TO_RIGHT C19H19FN2O N-Desmethylcitalopram 310.14813 Citalopram Sodium-dependent serotonin transporter CHEBI:16842 ChEBI CH5N Methylammonium 31.0422 53-84-9 CAS C00027 KEGG Compound C16609 KEGG Compound C2H7N Dimethylamine 45.05785 GO:0005739 GENE ONTOLOGY GO:0005737 GENE ONTOLOGY C16607 KEGG Compound C16608 KEGG Compound 1.0 SMILES OC(=O)CCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 HMDB03125 HMDB 74-89-5 CAS Endoplasmic Reticulum Membrane CL:0000000 CELL TYPE ONTOLOGY ReactionCatalysis1719 ACTIVATION 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 Cytochrome P450 2D6 5682 ChemSpider Didemethylcitalopram 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 ReactionCatalysis1720 ACTIVATION 1.4.3.4 false 1.4.3.4 Citalopram + Oxygen + Water → Citalopram aldehyde + Dimethylamine + Hydrogen peroxide LEFT_TO_RIGHT 1.0 654 ChemSpider ReactionCatalysis1721 ACTIVATION ReactionCatalysis1724 ACTIVATION HYDROGEN-PEROXIDE BioCyc ReactionCatalysis1725 ACTIVATION C16612 KEGG Compound SMILES CNCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 1.4.3.4 false 1.4.3.4 N-Desmethylcitalopram + Oxygen + Water → Citalopram aldehyde + Hydrogen peroxide + Methylammonium LEFT_TO_RIGHT BiologicalState31 1.14.14.1 false 1.14.14.1 Citalopram + NADH + Oxygen → Formaldehyde + N-Desmethylcitalopram + NAD + Water LEFT_TO_RIGHT HMDB14021 HMDB C16610 KEGG Compound SMILES CN(C)(=O)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 1.0 6089 ChemSpider Amine oxidase [flavin-containing] B 763 ChemSpider NAD Cytoplasm SMILES CNC 1.0 Cell 784 PubChem-compound 162976 PubChem-compound ReactionCatalysis1859 ACTIVATION 6329 PubChem-compound 7732-18-5 CAS 388299 ChemSpider Dimethylamine 1.0 Water ReactionCatalysis1742 ACTIVATION O2 Oxygen 31.98983 CHEBI:77397 ChEBI ReactionCatalysis1866 ACTIVATION AMMONIA BioCyc SMILES N GO:0005789 GENE ONTOLOGY 10068142 PubChem-compound P27338 UniProt ReactionCatalysis1860 ACTIVATION BiologicalState13 BiologicalState10 1.0 C00067 KEGG Compound N-Desmethylcitalopram HMDB00087 HMDB Aldehyde oxidase 7782-44-7 CAS 124-40-3 CAS Cytochrome P450 2C19 CHEBI:17170 ChEBI Citalopram aldehyde 1.0 1.0 HMDB60291 HMDB 9606 TAXONOMY 962 PubChem-compound P10635 UniProt 1.0 SMP00627 SMPDB 1.0 143072 ChemSpider N-Desmethylcitalopram Didemethylcitalopram 142424 ChemSpider 1.0 HMDB00051 HMDB 5893 PubChem-compound HMDB02111 HMDB 8119612 ChemSpider SMILES O=O Citalopram N-oxide Hydrogen peroxide CHEBI:15377 ChEBI Cell Membrane CHEBI:15379 ChEBI SMILES CN 712 PubChem-compound Q06278 UniProt 1.0 8578612 ChemSpider 162180 PubChem-compound HMDB01487 HMDB C18H14FNO2 Citalopram aldehyde 295.10086 1.14.14.1 false 1.14.14.1 N-Desmethylcitalopram + NADH + Oxygen → Didemethylcitalopram + Formaldehyde + NAD + Water LEFT_TO_RIGHT HMDB60654 HMDB H2O Water 18.010565 H2O2 Hydrogen peroxide 34.005478 ReactionCatalysis1701 ACTIVATION Citalopram aldehyde NADH BioCyc NAD BioCyc HMDB01377 HMDB 2669 ChemSpider 977 PubChem-compound C18H17FN2O Didemethylcitalopram 296.13248 1.0 50-00-0 CAS Citalopram C00543 KEGG Compound ReactionCatalysis1715 ACTIVATION ReactionCatalysis1714 ACTIVATION SMILES CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 DIMETHYLAMINE BioCyc Sodium- dependent serotonin transporter Amine oxidase [flavin- containing] A Amine oxidase [flavin- containing] B Amine oxidase [flavin- containing] A Amine oxidase [flavin- containing] B Amine oxidase [flavin- containing] A Amine oxidase [flavin- containing] B Aldehyde oxidase Cytochrome P450 2D6 Cytochrome P450 3A7 Cytochrome P450 2C19 Cytochrome P450 2D6 Cytochrome P450 2D6 Citalopram Citalopram H 2 O O 2 Citalopram aldehyde Dimethylamine H 2 O 2 N-Desmethylcitalopram H 2 O O 2 Methylammonium H 2 O 2 Didemethylcitalopram H 2 O O 2 NH 3 H 2 O 2 H 2 O O 2 Citalopram propionic acid H 2 O 2 O 2 NADH H 2 O Formaldehyde NAD O 2 NADH H 2 O Formaldehyde NAD O 2 H 2 O Citalopram N-oxide H 2 O 2 FAD FAD FAD FAD FAD FAD FAD Molybdopterin 2Fe-2S Heme Heme Heme Heme Heme Axon Terminal Mitochondrion outer membrane
7722-84-1 CAS Cytochrome P450 2D6 937 ChemSpider CHEBI:16134 ChEBI 439153 PubChem-compound 1.0 SMILES O SMILES OO H3N Ammonia 17.026548 Citalopram Metabolism Pathway Citalopram inhibition of Sodium-dependent serotonin transporter InhibitorySubPathway P31645 UniProt Cytochrome P450 3A7 HMDB05038 HMDB Amine oxidase [flavin-containing] B Ammonia Water PW000603 PathWhiz CHEBI:15846 ChEBI Citalopram propionic acid 62498-67-3 CAS P33261 UniProt C00218 KEGG Compound C18H14FNO3 Citalopram propionic acid 311.09576 BTO:0000759 BRENDA TISSUE ONTOLOGY P24462 UniProt 1.0 952 ChemSpider HMDB60462 HMDB 1.4.3.4 false 1.4.3.4 Didemethylcitalopram + Oxygen + Water → Ammonia + Citalopram aldehyde + Hydrogen peroxide LEFT_TO_RIGHT Hydrogen peroxide HMDB60463 HMDB 1.0 CH2O Formaldehyde 30.010565 1.0 Amine oxidase [flavin-containing] A 1.0 HMDB00902 HMDB CHEBI:16908 ChEBI Amine oxidase [flavin-containing] A C20H21FN2O2 Citalopram N-oxide 340.1587 CHEBI:16240 ChEBI 8243682 ChemSpider 1.0 Cytochrome P450 2C19 1.0 Mitochondrion 9944000 PubChem-compound Cytochrome P450 3A7 FORMALDEHYDE BioCyc SMILES FC1=CC=C(C=C1)C1(CCC=O)OCC2=C1C=CC(=C2)C#N HMDB01426 HMDB CPD-6641 BioCyc 217 ChemSpider 1.0 58-68-4 CAS Water SMILES C=O 692 ChemSpider 1.0 GO:0005886 GENE ONTOLOGY BiologicalState73 Homo sapiens, Neuron, Cell Membrane 59729-33-8 CAS NADH C00007 KEGG Compound Oxygen 674 PubChem-compound 62498-69-5 CAS Formaldehyde C00001 KEGG Compound Sodium-dependent serotonin transporter SubPathwayInhibition SMILES NCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 C00004 KEGG Compound 2771 PubChem-compound C00003 KEGG Compound Liver HMDB60472 HMDB 1.0 Reaction2010 false Citalopram aldehyde + Oxygen + Water → Citalopram propionic acid + Hydrogen peroxide LEFT_TO_RIGHT 7664-41-7 CAS Citalopram SubPathwayInhibitor C20H21FN2O Citalopram 324.1638 1.0 Oxygen CHEBI:16830 ChEBI C21H28N7O14P2 NAD 664.11694 CL:0000540 CELL TYPE ONTOLOGY CHEBI:586865 ChEBI Neuron 10403174 PubChem-compound 222 PubChem-compound Oxygen C00014 KEGG Compound Methylammonium SubPathwayControl529 InhibitorySubPathwayControl SubPathway529Control C21H29N7O14P2 NADH 665.12476 Hydrogen peroxide P21397 UniProt C07572 KEGG Compound Aldehyde oxidase 1.0 1.14.14.1 false 1.14.14.1 Citalopram + Oxygen + Water → Citalopram N-oxide + Hydrogen peroxide LEFT_TO_RIGHT C19H19FN2O N-Desmethylcitalopram 310.14813 Citalopram Sodium-dependent serotonin transporter CHEBI:16842 ChEBI CH5N Methylammonium 31.0422 53-84-9 CAS C00027 KEGG Compound C16609 KEGG Compound C2H7N Dimethylamine 45.05785 GO:0005739 GENE ONTOLOGY GO:0005737 GENE ONTOLOGY C16607 KEGG Compound C16608 KEGG Compound 1.0 SMILES OC(=O)CCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 HMDB03125 HMDB 74-89-5 CAS Endoplasmic Reticulum Membrane CL:0000000 CELL TYPE ONTOLOGY ReactionCatalysis1719 ACTIVATION 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 Cytochrome P450 2D6 5682 ChemSpider Didemethylcitalopram 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 ReactionCatalysis1720 ACTIVATION 1.4.3.4 false 1.4.3.4 Citalopram + Oxygen + Water → Citalopram aldehyde + Dimethylamine + Hydrogen peroxide LEFT_TO_RIGHT 1.0 654 ChemSpider ReactionCatalysis1721 ACTIVATION ReactionCatalysis1724 ACTIVATION HYDROGEN-PEROXIDE BioCyc ReactionCatalysis1725 ACTIVATION C16612 KEGG Compound SMILES CNCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 1.4.3.4 false 1.4.3.4 N-Desmethylcitalopram + Oxygen + Water → Citalopram aldehyde + Hydrogen peroxide + Methylammonium LEFT_TO_RIGHT BiologicalState31 Homo sapiens, Liver, Cell, Cytoplasm 1.14.14.1 false 1.14.14.1 Citalopram + NADH + Oxygen → Formaldehyde + N-Desmethylcitalopram + NAD + Water LEFT_TO_RIGHT HMDB14021 HMDB C16610 KEGG Compound SMILES CN(C)(=O)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 1.0 6089 ChemSpider Amine oxidase [flavin-containing] B 763 ChemSpider NAD Cytoplasm SMILES CNC 1.0 Cell 784 PubChem-compound 162976 PubChem-compound ReactionCatalysis1859 ACTIVATION 6329 PubChem-compound 7732-18-5 CAS 388299 ChemSpider Dimethylamine 1.0 Water ReactionCatalysis1742 ACTIVATION O2 Oxygen 31.98983 CHEBI:77397 ChEBI ReactionCatalysis1866 ACTIVATION AMMONIA BioCyc SMILES N GO:0005789 GENE ONTOLOGY 10068142 PubChem-compound P27338 UniProt ReactionCatalysis1860 ACTIVATION BiologicalState13 Homo sapiens, Liver, Mitochondrion BiologicalState10 Homo sapiens, Liver, Cell, Endoplasmic Reticulum Membrane 1.0 C00067 KEGG Compound N-Desmethylcitalopram HMDB00087 HMDB Aldehyde oxidase 7782-44-7 CAS 124-40-3 CAS Cytochrome P450 2C19 CHEBI:17170 ChEBI Citalopram aldehyde 1.0 1.0 HMDB60291 HMDB 9606 TAXONOMY 962 PubChem-compound P10635 UniProt 1.0 http://identifiers.org/smpdb/SMP00627 SMPDB 1.0 143072 ChemSpider N-Desmethylcitalopram Didemethylcitalopram 142424 ChemSpider 1.0 HMDB00051 HMDB 5893 PubChem-compound HMDB02111 HMDB 8119612 ChemSpider SMILES O=O Citalopram N-oxide Hydrogen peroxide CHEBI:15377 ChEBI Cell Membrane CHEBI:15379 ChEBI SMILES CN 712 PubChem-compound Q06278 UniProt 1.0 8578612 ChemSpider 162180 PubChem-compound HMDB01487 HMDB C18H14FNO2 Citalopram aldehyde 295.10086 1.14.14.1 false 1.14.14.1 N-Desmethylcitalopram + NADH + Oxygen → Didemethylcitalopram + Formaldehyde + NAD + Water LEFT_TO_RIGHT HMDB60654 HMDB H2O Water 18.010565 H2O2 Hydrogen peroxide 34.005478 ReactionCatalysis1701 ACTIVATION Citalopram aldehyde NADH BioCyc NAD BioCyc HMDB01377 HMDB 2669 ChemSpider 977 PubChem-compound C18H17FN2O Didemethylcitalopram 296.13248 1.0 50-00-0 CAS Citalopram C00543 KEGG Compound ReactionCatalysis1715 ACTIVATION ReactionCatalysis1714 ACTIVATION SMILES CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 DIMETHYLAMINE BioCyc Mitochondria SLC6A4 MAOA MAOB MAOA MAOB MAOA MAOB AOX1 CYP2D6 CYP3A7 CYP2C19 CYP2D6 CYP2D6 Citalopram Citalopram Water Oxygen Citalopram aldehyde Dimethylamine Hydrogen peroxide N- Desmethylcitalopram Water Oxygen Methylammonium Hydrogen peroxide Didemethylcitalopram Water Oxygen Ammonia Hydrogen peroxide Water Oxygen Citalopram propionic acid Hydrogen peroxide Oxygen NADH Water Formaldehyde NAD Oxygen NADH Water Formaldehyde NAD Oxygen Water Citalopram N-oxide Hydrogen peroxide