Quantitative metabolomics services for biomarker discovery and validation.
Specializing in ready to use metabolomics kits.
Your source for quantitative metabolomics technologies and bioinformatics.
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on PathBank.
Loading Pathway...
7722-84-1 CAS 923 PubChem-compound HMDB00259 HMDB 937 ChemSpider CHEBI:16134 ChEBI 1.0 439153 PubChem-compound 1.0 1.0 1.0 SubPathwayControl492 SubPathway492Control ActivatingSubPathwayControl SubPathwayControl493 ActivatingSubPathwayControl SubPathway493Control P31645 UniProt Q01959 UniProt Pro-opiomelanocortin Neuronal acetylcholine receptor subunit beta-2 Neuronal acetylcholine receptor subunit alpha-4 Glutamate [NMDA] receptor subunit 3A Neuroendocrine convertase 2 Amine oxidase [flavin-containing] B P21728 UniProt Citalopram propionic acid Q12879 UniProt 62498-67-3 CAS C00218 KEGG Compound BTO:0000759 BRENDA TISSUE ONTOLOGY Voltage Gated Potassium Channel Sodium channel 1.0 1.0 L type Calcium channel Nicotinic Acetylcholine Receptor 1.0 Sodium channel subunit beta-1 952 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 1.0 Amine oxidase [flavin-containing] A Amine oxidase [flavin-containing] A 813 PubChem-compound CHEBI:16240 ChEBI 8243682 ChemSpider Sodium channel protein type 10 subunit alpha Glutamate receptor ionotropic 1.0 2.0 9944000 PubChem-compound Transport154 false Potassium (→) Transport: Homo sapiens, Neuron, Cytoplasm to Homo sapiens, Neuron, Extracellular Space LEFT_TO_RIGHT Transport153 false Sodium (→) Transport: Homo sapiens, Neuron, Extracellular Space to Homo sapiens, Neuron, Cytoplasm LEFT_TO_RIGHT C00238 KEGG Compound CHEBI:18357 ChEBI FORMALDEHYDE BioCyc Transport155 false Calcium (→) Transport: Homo sapiens, Neuron, Extracellular Space to Homo sapiens, Neuron, Cytoplasm LEFT_TO_RIGHT 2.0 HMDB00216 HMDB SMILES FC1=CC=C(C=C1)C1(CCC=O)OCC2=C1C=CC(=C2)C#N HMDB01426 HMDB 1.0 P17787 UniProt 1.0 BiologicalState74 BiologicalState73 59729-33-8 CAS BiologicalState71 Transport158 false Norepinephrine (→) Transport: Homo sapiens, Neuron to Homo sapiens, Neuron, Extracellular Space LEFT_TO_RIGHT Transport157 false Beta-endorphin (→) Transport: Homo sapiens, Neuron to Homo sapiens, Neuron, Extracellular Space LEFT_TO_RIGHT Transport159 false Serotonin (→) Transport: Homo sapiens, Neuron to Homo sapiens, Neuron, Extracellular Space LEFT_TO_RIGHT HMDB00464 HMDB C00007 KEGG Compound HMDB00586 HMDB 62498-69-5 CAS HMDB00588 HMDB Transport161 false Norepinephrine (→), Sodium (→) Transport: Homo sapiens, Neuron, Extracellular Space to Homo sapiens, Neuron LEFT_TO_RIGHT Transport160 false Serotonin (→), Sodium (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Neuron LEFT_TO_RIGHT C03758 KEGG Compound Transport163 false Dopamine (→), Sodium (→) Transport: Homo sapiens, Neuron, Extracellular Space to Homo sapiens, Neuron LEFT_TO_RIGHT Transport162 false Dopamine (→) Transport: Homo sapiens, Neuron to Homo sapiens, Neuron, Extracellular Space LEFT_TO_RIGHT C00001 KEGG Compound 24203-36-9 CAS C01330 KEGG Compound SMILES NCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 C00004 KEGG Compound C00003 KEGG Compound CHEBI:18243 ChEBI HMDB60472 HMDB Reaction2010 false Citalopram aldehyde + Oxygen + Water → Citalopram propionic acid + Hydrogen peroxide LEFT_TO_RIGHT Sodium-dependent noradrenaline transporter C21H28N7O14P2 NAD 664.11694 CL:0000540 CELL TYPE ONTOLOGY CHEBI:586865 ChEBI 10403174 PubChem-compound Oxygen C00014 KEGG Compound Extracellular Space Aldehyde oxidase 14127-61-8 CAS C19H19FN2O N-Desmethylcitalopram 310.14813 Q9NS61 UniProt Sodium-dependent serotonin transporter Calcium 1.0 53-84-9 CAS C00027 KEGG Compound C16609 KEGG Compound Sodium CHEBI:29108 ChEBI C16607 KEGG Compound C16608 KEGG Compound CHEBI:29101 ChEBI CHEBI:29103 ChEBI SMILES OC(=O)CCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 SMP00424 SMPDB CL:0000000 CELL TYPE ONTOLOGY ReactionCatalysis1719 ACTIVATION Cytochrome P450 2D6 899 ChemSpider Sodium 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 1.0 654 ChemSpider ReactionCatalysis1721 ACTIVATION SMILES NCCC1=CC(O)=C(O)C=C1 ReactionCatalysis1724 ACTIVATION HYDROGEN-PEROXIDE BioCyc SMILES NCCC1=CNC2=CC=C(O)C=C12 ReactionCatalysis1725 ACTIVATION C16612 KEGG Compound BiologicalState31 Q9Y5Y9 UniProt C16610 KEGG Compound Potassium SMILES CN(C)(=O)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 5-hydroxytryptamine receptor 1A SubPathwayActivation K%2b BioCyc 6089 ChemSpider Amine oxidase [flavin-containing] B 763 ChemSpider SMILES CNC 1.0 17341-25-2 CAS 784 PubChem-compound 51-61-6 CAS P01189 UniProt ReactionCatalysis1859 ACTIVATION 7732-18-5 CAS Dimethylamine 1.0 Water ReactionCatalysis1742 ACTIVATION Beta-Endorphin activation of Mu-Type Receptor ActivatingSubPathway Serotonin activate of 5-hydroxytryptamine receptor 1A ActivatingSubPathway CHEBI:77397 ChEBI ReactionCatalysis1866 ACTIVATION Norepinephrine activation of Alpha-1A adrenergic receptor ActivatingSubPathway Alpha-1A adrenergic receptor SubPathwayActivation AMMONIA BioCyc SMILES N Dopamine activation of dopamine receptor ActivatingSubPathway 791 ChemSpider P27338 UniProt Voltage-dependent calcium channel subunit alpha-2/delta-2 ReactionCatalysis1860 ACTIVATION Beta-endorphin SubPathwayActivator NOREPINEPHRINE BioCyc BiologicalState13 Sodium-dependent dopamine transporter Voltage-dependent P/Q-type calcium channel subunit alpha-1A DOPAMINE BioCyc BiologicalState10 C00067 KEGG Compound CHEBI:17170 ChEBI Citalopram aldehyde 1.0 661 ChemSpider HMDB60291 HMDB 962 PubChem-compound Glutamate [NMDA] receptor subunit zeta-1 5-hydroxytryptamine receptor 1A Voltage-dependent L-type calcium channel subunit beta-1 N-Desmethylcitalopram Didemethylcitalopram 142424 ChemSpider C00076 KEGG Compound SMILES O=O Glutamate [NMDA] receptor subunit 3A 1.0 Citalopram N-oxide Hydrogen peroxide Ca Calcium 39.96259 P35372 UniProt O00555 UniProt SMILES CN 712 PubChem-compound Q06278 UniProt Kv channel-interacting protein 2 Glutamate [NMDA] receptor subunit epsilon-1 1.0 Sodium channel subunit beta-1 8578612 ChemSpider 162180 PubChem-compound 1.14.14.1 false 1.14.14.1 N-Desmethylcitalopram + NADH + Oxygen → Didemethylcitalopram + Formaldehyde + NAD + Water LEFT_TO_RIGHT Potassium voltage-gated channel subfamily D member 2 Q07699 UniProt P16519 UniProt H2O Water 18.010565 H2O2 Hydrogen peroxide 34.005478 ReactionCatalysis1701 ACTIVATION Sodium channel protein type 10 subunit alpha Citalopram aldehyde NADH BioCyc 2.0 SubPathwayControl490 SubPathway490Control ActivatingSubPathwayControl NAD BioCyc SubPathwayControl491 SubPathway491Control ActivatingSubPathwayControl 4.0 2669 ChemSpider 977 PubChem-compound Na Sodium 22.989769 K Potassium 38.963707 1.0 50-00-0 CAS Citalopram ReactionCatalysis1715 ACTIVATION ReactionCatalysis1714 ACTIVATION SMILES CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 1.0 P08908 UniProt TransportCatalysis121 ACTIVATION TransportCatalysis120 ACTIVATION 51-41-2 CAS Cytochrome P450 2D6 Dopamine Serotonin SMILES O SMILES OO TransportCatalysis118 ACTIVATION H3N Ammonia 17.026548 TransportCatalysis117 ACTIVATION TransportCatalysis116 ACTIVATION P01203 UniProt Sodium-dependent noradrenaline transporter Citalopram inhibition of Sodium-dependent serotonin transporter InhibitorySubPathway Cytochrome P450 3A7 Alpha-1A adrenergic receptor SMILES [Na+] SMILES [K+] HMDB05038 HMDB Ammonia Water CHEBI:15846 ChEBI TransportCatalysis127 ACTIVATION Q8TCU5 UniProt TransportCatalysis126 ACTIVATION TransportCatalysis125 ACTIVATION TransportCatalysis123 ACTIVATION P33261 UniProt TransportCatalysis122 ACTIVATION C18H14FNO3 Citalopram propionic acid 311.09576 1.0 P24462 UniProt 1.0 Dopamine SubPathwayActivator Sodium-dependent serotonin transporter 4.0 CH2O Formaldehyde 30.010565 1.0 HMDB00902 HMDB CHEBI:16908 ChEBI 50-67-9 CAS Beta-endorphin P35348 UniProt C20H21FN2O2 Citalopram N-oxide 340.1587 1.0 Cytochrome P450 2C19 1.0 266 ChemSpider Norepinephrine Mitochondrion C8H11NO3 Norepinephrine 169.0739 Cytochrome P450 3A7 CPD-6641 BioCyc 217 ChemSpider Q9NZV8 UniProt 681 PubChem-compound 1.0 58-68-4 CAS Water SMILES C=O 692 ChemSpider GO:0005886 GENE ONTOLOGY 1.0 NADH Voltage-dependent calcium channel subunit alpha-2/delta-2 Oxygen 674 PubChem-compound Formaldehyde 1.0 Sodium-dependent serotonin transporter SubPathwayInhibition Q05586 UniProt 2771 PubChem-compound Q9NY47 UniProt Liver 1.0 SMILES NC[C@H](O)C1=CC(O)=C(O)C=C1 7664-41-7 CAS Citalopram SubPathwayInhibitor C20H21FN2O Citalopram 324.1638 ReactionCatalysis1410 ACTIVATION 1.0 Oxygen CHEBI:16830 ChEBI Neuroendocrine convertase 2 Neuronal acetylcholine receptor subunit alpha-4 Pro-opiomelanocortin D(1A) dopamine receptor Neuron Neuronal acetylcholine receptor subunit beta-2 Sodium-dependent dopamine transporter Voltage-dependent P/Q-type calcium channel subunit alpha-1A 222 PubChem-compound Methylammonium SubPathwayControl529 InhibitorySubPathwayControl SubPathway529Control C21H29N7O14P2 NADH 665.12476 Hydrogen peroxide P21397 UniProt C07572 KEGG Compound 1.0 SMILES [Ca++] 1.0 Citalopram Action Pathway C10H12N2O Serotonin 176.09496 1.14.14.1 false 1.14.14.1 Citalopram + Oxygen + Water → Citalopram N-oxide + Hydrogen peroxide LEFT_TO_RIGHT Norepinephrine SubPathwayActivator C8H11NO2 Dopamine 153.07898 Citalopram CHEBI:16842 ChEBI CH5N Methylammonium 31.0422 Voltage-dependent L-type calcium channel subunit beta-1 Glutamate [NMDA] receptor subunit zeta-1 C2H7N Dimethylamine 45.05785 GO:0005739 GENE ONTOLOGY GO:0005615 GENE ONTOLOGY GO:0005737 GENE ONTOLOGY 1.0 HMDB03125 HMDB 74-89-5 CAS Endoplasmic Reticulum Membrane Kv channel-interacting protein 2 Glutamate [NMDA] receptor subunit epsilon-1 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 1.0 Serotonin SubPathwayActivator 5682 ChemSpider 1.4.3.4 false 1.4.3.4 Citalopram + Oxygen + Water → Citalopram aldehyde + Dimethylamine + Hydrogen peroxide LEFT_TO_RIGHT Calcium 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 1.14.14.1 false 1.14.14.1 Citalopram + NADH + Oxygen → Formaldehyde + N-Desmethylcitalopram + NAD + Water LEFT_TO_RIGHT HMDB14021 HMDB 1.0 Potassium voltage-gated channel subfamily D member 2 5202 PubChem-compound Q02641 UniProt NAD Cytoplasm 1.0 1.0 Cell 162976 PubChem-compound 6329 PubChem-compound HMDB00073 HMDB 388299 ChemSpider O2 Oxygen 31.98983 1.0 GO:0005789 GENE ONTOLOGY 10068142 PubChem-compound 3.4.21.94 false 3.4.21.94 Pro-opiomelanocortin → Beta-endorphin LEFT_TO_RIGHT 1.0 1.0 1.0 Mu-type opioid receptor N-Desmethylcitalopram HMDB00087 HMDB Aldehyde oxidase 7782-44-7 CAS 124-40-3 CAS Cytochrome P450 2C19 1.0 PW000426 PathWhiz 1.0 9606 TAXONOMY P10635 UniProt 1.0 Potassium 1.0 143072 ChemSpider 388394 ChemSpider 1.0 HMDB00051 HMDB P43681 UniProt 5893 PubChem-compound HMDB02111 HMDB 8119612 ChemSpider CA%2b2 BioCyc CHEBI:15377 ChEBI Cell Membrane CHEBI:15379 ChEBI Sodium 271 PubChem-compound CHEBI:28790 ChEBI 1.0 D(1A) dopamine receptor SubPathwayActivation HMDB01487 HMDB C18H14FNO2 Citalopram aldehyde 295.10086 439260 PubChem-compound Beta-endorphin HMDB60654 HMDB P23975 UniProt HMDB01377 HMDB C00547 KEGG Compound C18H17FN2O Didemethylcitalopram 296.13248 5013 ChemSpider C00780 KEGG Compound C00543 KEGG Compound Mu-type opioid receptor SubPathwayActivation 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 Alpha-1A adrenergic receptor 5- hydroxytryptamine receptor 1A D(1A) dopamine receptor Beta-endorphin Mu-type opioid receptor Neuronal acetylcholine receptor subunit beta-2 Neuronal acetylcholine receptor subunit alpha-4 Neuronal acetylcholine receptor subunit beta-2 Neuronal acetylcholine receptor subunit alpha-4 Neuronal acetylcholine receptor subunit beta-2 Neuronal acetylcholine receptor subunit alpha-4 Voltage- dependent P/Q-type calcium channel subunit alpha-1A Voltage- dependent L-type calcium channel subunit beta-1 Voltage- dependent calcium channel subunit alpha-2/delta-2 Sodium channel protein type 10 subunit alpha Sodium channel subunit beta-1 Potassium voltage-gated channel subfamily D member 2 Kv channel- interacting protein 2 Beta-endorphin Glutamate [NMDA] receptor subunit zeta-1 Glutamate [NMDA] receptor subunit epsilon-1 Glutamate [NMDA] receptor subunit 3A Sodium- dependent noradrenaline transporter Sodium- dependent serotonin transporter Sodium- dependent dopamine transporter Pro- opiomelanocortin Neuroendocrine convertase 2 Sodium/potassium- transporting ATPase subunit alpha-1 Sodium/potassium- transporting ATPase subunit alpha-2 Sodium/potassium- transporting ATPase subunit alpha-3 Sodium/potassium- transporting ATPase subunit alpha-4 Sodium/potassium- transporting ATPase subunit beta-1 Sodium/potassium- transporting ATPase subunit beta-2 Sodium/potassium- transporting ATPase subunit beta-3 ATPase, (Na+)/K+ transporting, beta 4 polypeptide Sodium/potassium- transporting ATPase subunit gamma 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