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6022 PubChem-compound 8682 PubChem-compound PW002486 PathWhiz 937 ChemSpider 1136 PubChem-compound 4-amino-2-methyl-5-phosphomethylpyrimidine HMDB00250 HMDB 1130 PubChem-compound 1132 PubChem-compound HMDB01341 HMDB 2.7.1.49,2.7.4.7 false 2.7.1.49,2.7.4.7 4-Amino-5-hydroxymethyl-2-methylpyrimidine + Adenosine triphosphate → 4-amino-2-methyl-5-phosphomethylpyrimidine + Adenosine diphosphate LEFT_TO_RIGHT SMILES O Pyrophosphate C10H14N5O7P Adenosine monophosphate 347.06308 1.0 3382778 PubChem-compound CHEBI:16027 ChEBI P35202 UniProt C12H17N4OS Thiamine 265.1123 ATP BioCyc 1.0 559142 ChemSpider ADP BioCyc 1.0 Vitamin B1/Thiamine metabolism THIAMINE-P BioCyc HMDB00235 HMDB 1.0 Q08224 UniProt 5742 ChemSpider CHEBI:58354 ChEBI Thiamine 1038 PubChem-compound 25245616 PubChem-compound SubPathway HMDB59597 HMDB Adenosine monophosphate 154-87-0 CAS 495-23-8 CAS 5858 ChemSpider HMDB02666 HMDB C6H8N3O4P 4-amino-2-methyl-5-phosphomethylpyrimidine 217.02634 O4P Phosphate 94.95342 SubPathwayInteraction3774 SubPathway3774Reaction SubPathwayReaction 1010 ChemSpider 2.5.1.3,2.7.1.50 false 2.5.1.3,2.7.1.50 4-methyl-5-(2-phosphonooxyethyl)thiazole + 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate + Hydrogen Ion → Pyrophosphate + Thiamine monophosphate LEFT_TO_RIGHT Reaction6954 false 4-methyl-5-(β-hydroxyethyl)thiazole + Adenosine triphosphate → 4-methyl-5-(2-phosphonooxyethyl)thiazole + Adenosine diphosphate + Hydrogen Ion LEFT_TO_RIGHT Reaction6955 false Water + oxythiamine → 5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone + 4-methyl-5-(β-hydroxyethyl)thiazole + Hydrogen Ion LEFT_TO_RIGHT 3.1.3.2 false 3.1.3.2 Thiamine monophosphate + Water → Phosphate + Thiamine LEFT_TO_RIGHT ReactionCatalysis6929 ACTIVATION 2.7.6.2 false 2.7.6.2 Adenosine triphosphate + Thiamine → Adenosine monophosphate + Hydrogen Ion + Thiamine pyrophosphate LEFT_TO_RIGHT ReactionCatalysis6927 ACTIVATION ReactionCatalysis6926 ACTIVATION PPI BioCyc 4-Amino-5-hydroxymethyl-2-methylpyrimidine C6H9N3O 4-Amino-5-hydroxymethyl-2-methylpyrimidine 139.07455 Reaction6950 false 4-amino-2-methyl-5-phosphomethylpyrimidine + Adenosine triphosphate → 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate + Adenosine diphosphate LEFT_TO_RIGHT 1.0 2.7.1.49,2.7.4.7 false 2.7.1.49,2.7.4.7 Water + oxidized electron acceptor + pyrithiamine → 2-(2-methylpyridin-3-yl)ethanol + 4-Amino-5-hydroxymethyl-2-methylpyrimidine + reduced electron acceptor LEFT_TO_RIGHT 1.0 SMILES CC1=C(CCO)SC=N1 SMILES CC1=C(CCOP([O-])([O-])=O)SC=N1 Hydrogen Ion Adenosine triphosphate SMILES CC1=C(CCO)SC=[N+]1CC1=CN=C(C)NC1=O Acid phosphatases SMILES [O-]P([O-])([O-])=O Thiamine pyrophosphate SMILES CC1=NC=C(CO)C(=O)N1 1.0 C00009 KEGG Compound C00008 KEGG Compound oxidized electron acceptor C00001 KEGG Compound CHEBI:18361 ChEBI 1.0 Q08975 UniProt CHEBI:18367 ChEBI 1032 ChemSpider C00002 KEGG Compound HMDB01429 HMDB SMILES CC1=C(CCO[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N C00378 KEGG Compound C00013 KEGG Compound O7P2 Pyrophosphate 173.91193 5957 PubChem-compound 7322 PubChem-compound 14779126 PubChem-compound H Hydrogen Ion 1.007825 1.0 56-65-5 CAS C00020 KEGG Compound Adenosine diphosphate C10H15N5O10P2 Adenosine diphosphate 427.02942 Thiamine pyrophosphokinase Acid phosphatase PHO11 1.0 Repressible acid phosphatase acid phosphatase PHO3 CPD-8587 BioCyc 1.0 CHEBI:16892 ChEBI Water AMP BioCyc SMILES [O-]P([O-])(=O)OP([O-])([O-])=O P00635 UniProt 14000-31-8 CAS 2-(alpha-lactyl)-thpp BioCyc 59-43-8 CAS SMILES CC1=NC=C(COP([O-])([O-])=O)C(=N)N1 P35842 UniProt P24031 UniProt SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 1.0 CHEBI:9532 ChEBI SMILES CC1=NC=C(CO)C(N)=N1 HMDB00538 HMDB hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21 Thiamine biosynthetic bifunctional enzyme acid phosphatase PHO12 2627905 ChemSpider CHEBI:15422 ChEBI reduced electron acceptor 7732-18-5 CAS CHEBI:37574 ChEBI 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 SMILES CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N C12H19N4O7P2S Thiamine pyrophosphate 425.04498 C10H16N5O13P3 Adenosine triphosphate 506.99576 777 PubChem-compound 268518 PubChem-compound CHEBI:18385 ChEBI CHEBI:16761 ChEBI 1098 ChemSpider C00068 KEGG Compound 1.0 1.0 SMILES CC1=NC=C(COP([O-])(=O)OP([O-])([O-])=O)C(=N)N1 SMILES CC1=C(CCO)C=CC=N1 SMILES CC1N(CC2=CN=C(C)N=C2N)C=CC=C1CCO P38693 UniProt 962 PubChem-compound 1.0 5800 ChemSpider C04556 KEGG Compound C12H17N4O4PS Thiamine monophosphate 344.0708 Phosphate 1.0 HMDB02111 HMDB C00080 KEGG Compound acid phosphatase PHO12 ReactionCatalysis6934 ACTIVATION ReactionCatalysis6933 ACTIVATION hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 Thiamine biosynthetic bifunctional enzyme hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21 1.0 ReactionCatalysis6932 ACTIVATION oxythiamine ReactionCatalysis6931 ACTIVATION ReactionCatalysis6930 ACTIVATION 5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone SMILES CC1=C(CCO[P@](O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N CHEBI:15377 ChEBI CHEBI:15378 ChEBI SMILES [H+] 14265-44-2 CAS 2-(2-methylpyridin-3-yl)ethanol pyrithiamine 4-methyl-5-(β-hydroxyethyl)thiazole 4-methyl-5-(2-phosphonooxyethyl)thiazole 58-64-0 CAS SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 1.0 1.0 Thiamine pyrophosphokinase acid phosphatase PHO3 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate P41835 UniProt C6H8N3O7P2 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate 295.98538 C14H20N4O pyrithiamine 260.1637 Repressible acid phosphatase Acid phosphatase PHO11 C6H9NOS 4-methyl-5-(β-hydroxyethyl)thiazole 143.04048 C8H11NO 2-(2-methylpyridin-3-yl)ethanol 137.08406 C6H8NO4PS 4-methyl-5-(2-phosphonooxyethyl)thiazole 220.99226 644102 PubChem-compound 1.0 reduced electron acceptor 6083 PubChem-compound 1100 ChemSpider 1.0 H2O Water 18.010565 C12H16N3O2S oxythiamine 266.09576 C6H8N2O2 5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone 140.05858 http://identifiers.org/smpdb/SMP02385 SMPDB HMDB00045 HMDB 1061 PubChem-compound 416151 PubChem-compound oxidized electron acceptor Thiamine monophosphate THIAMINE BioCyc HMDB01372 HMDB C01081 KEGG Compound hydroxymethylpyrimidine/phosphomethylpyrimidine kinase hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21 hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21 hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 Thiamine biosynthetic bifunctional enzyme Thiamine biosynthetic bifunctional enzyme hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 acid phosphatase PHO12 Acid phosphatase PHO11 Repressible acid phosphatase acid phosphatase PHO3 Thiamine pyrophosphokinase ATP 4-amino-2- methyl-5- phosphomethylpyrimidine ADP 2-Methyl-4- amino-5- hydroxymethylpyrimidine diphosphate ATP 4-Amino-5- hydroxymethyl- 2- methylpyrimidine ADP pyrithiamine H 2 O 2-(2- methylpyridin- 3-yl)ethanol H + 4-methyl-5- (2- phosphonooxyethyl)thiazole PP i Thiamine monophosphate 4-methyl-5- (β- hydroxyethyl)thiazole ATP H + ADP oxythiamine H 2 O H + 5- (hydroxymethyl)- 2-methyl- 4(1H)- pyrimidinone H 2 O Thiamine P i ATP H + AMP Thiamine pyrophosphate oxidized electron acceptor reduced electron acceptor
6022 PubChem-compound 8682 PubChem-compound PW002486 PathWhiz 937 ChemSpider 1136 PubChem-compound 4-amino-2-methyl-5-phosphomethylpyrimidine HMDB00250 HMDB 1130 PubChem-compound 1132 PubChem-compound HMDB01341 HMDB 2.7.1.49,2.7.4.7 false 2.7.1.49,2.7.4.7 4-Amino-5-hydroxymethyl-2-methylpyrimidine + Adenosine triphosphate → 4-amino-2-methyl-5-phosphomethylpyrimidine + Adenosine diphosphate LEFT_TO_RIGHT SMILES O Pyrophosphate C10H14N5O7P Adenosine monophosphate 347.06308 1.0 3382778 PubChem-compound CHEBI:16027 ChEBI P35202 UniProt C12H17N4OS Thiamine 265.1123 ATP BioCyc 1.0 559142 ChemSpider ADP BioCyc 1.0 Vitamin B1/Thiamine metabolism THIAMINE-P BioCyc HMDB00235 HMDB 1.0 Q08224 UniProt 5742 ChemSpider CHEBI:58354 ChEBI Thiamine 1038 PubChem-compound 25245616 PubChem-compound SubPathway HMDB59597 HMDB Adenosine monophosphate 154-87-0 CAS 495-23-8 CAS 5858 ChemSpider HMDB02666 HMDB C6H8N3O4P 4-amino-2-methyl-5-phosphomethylpyrimidine 217.02634 O4P Phosphate 94.95342 SubPathwayInteraction3774 SubPathway3774Reaction SubPathwayReaction 1010 ChemSpider 2.5.1.3,2.7.1.50 false 2.5.1.3,2.7.1.50 4-methyl-5-(2-phosphonooxyethyl)thiazole + 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate + Hydrogen Ion → Pyrophosphate + Thiamine monophosphate LEFT_TO_RIGHT Reaction6954 false 4-methyl-5-(β-hydroxyethyl)thiazole + Adenosine triphosphate → 4-methyl-5-(2-phosphonooxyethyl)thiazole + Adenosine diphosphate + Hydrogen Ion LEFT_TO_RIGHT Reaction6955 false Water + oxythiamine → 5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone + 4-methyl-5-(β-hydroxyethyl)thiazole + Hydrogen Ion LEFT_TO_RIGHT 3.1.3.2 false 3.1.3.2 Thiamine monophosphate + Water → Phosphate + Thiamine LEFT_TO_RIGHT ReactionCatalysis6929 ACTIVATION 2.7.6.2 false 2.7.6.2 Adenosine triphosphate + Thiamine → Adenosine monophosphate + Hydrogen Ion + Thiamine pyrophosphate LEFT_TO_RIGHT ReactionCatalysis6927 ACTIVATION ReactionCatalysis6926 ACTIVATION PPI BioCyc 4-Amino-5-hydroxymethyl-2-methylpyrimidine C6H9N3O 4-Amino-5-hydroxymethyl-2-methylpyrimidine 139.07455 Reaction6950 false 4-amino-2-methyl-5-phosphomethylpyrimidine + Adenosine triphosphate → 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate + Adenosine diphosphate LEFT_TO_RIGHT 1.0 2.7.1.49,2.7.4.7 false 2.7.1.49,2.7.4.7 Water + oxidized electron acceptor + pyrithiamine → 2-(2-methylpyridin-3-yl)ethanol + 4-Amino-5-hydroxymethyl-2-methylpyrimidine + reduced electron acceptor LEFT_TO_RIGHT 1.0 SMILES CC1=C(CCO)SC=N1 SMILES CC1=C(CCOP([O-])([O-])=O)SC=N1 Hydrogen Ion Adenosine triphosphate SMILES CC1=C(CCO)SC=[N+]1CC1=CN=C(C)NC1=O Acid phosphatases SMILES [O-]P([O-])([O-])=O Thiamine pyrophosphate SMILES CC1=NC=C(CO)C(=O)N1 1.0 C00009 KEGG Compound C00008 KEGG Compound oxidized electron acceptor C00001 KEGG Compound CHEBI:18361 ChEBI 1.0 Q08975 UniProt CHEBI:18367 ChEBI 1032 ChemSpider C00002 KEGG Compound HMDB01429 HMDB SMILES CC1=C(CCO[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N C00378 KEGG Compound C00013 KEGG Compound O7P2 Pyrophosphate 173.91193 5957 PubChem-compound 7322 PubChem-compound 14779126 PubChem-compound H Hydrogen Ion 1.007825 1.0 56-65-5 CAS C00020 KEGG Compound Adenosine diphosphate C10H15N5O10P2 Adenosine diphosphate 427.02942 Thiamine pyrophosphokinase Acid phosphatase PHO11 1.0 Repressible acid phosphatase acid phosphatase PHO3 CPD-8587 BioCyc 1.0 CHEBI:16892 ChEBI Water AMP BioCyc SMILES [O-]P([O-])(=O)OP([O-])([O-])=O P00635 UniProt 14000-31-8 CAS 2-(alpha-lactyl)-thpp BioCyc 59-43-8 CAS SMILES CC1=NC=C(COP([O-])([O-])=O)C(=N)N1 P35842 UniProt P24031 UniProt SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 1.0 CHEBI:9532 ChEBI SMILES CC1=NC=C(CO)C(N)=N1 HMDB00538 HMDB hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21 Thiamine biosynthetic bifunctional enzyme acid phosphatase PHO12 2627905 ChemSpider CHEBI:15422 ChEBI reduced electron acceptor 7732-18-5 CAS CHEBI:37574 ChEBI 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 SMILES CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N C12H19N4O7P2S Thiamine pyrophosphate 425.04498 C10H16N5O13P3 Adenosine triphosphate 506.99576 777 PubChem-compound 268518 PubChem-compound CHEBI:18385 ChEBI CHEBI:16761 ChEBI 1098 ChemSpider C00068 KEGG Compound 1.0 1.0 SMILES CC1=NC=C(COP([O-])(=O)OP([O-])([O-])=O)C(=N)N1 SMILES CC1=C(CCO)C=CC=N1 SMILES CC1N(CC2=CN=C(C)N=C2N)C=CC=C1CCO P38693 UniProt 962 PubChem-compound 1.0 5800 ChemSpider C04556 KEGG Compound C12H17N4O4PS Thiamine monophosphate 344.0708 Phosphate 1.0 HMDB02111 HMDB C00080 KEGG Compound acid phosphatase PHO12 ReactionCatalysis6934 ACTIVATION ReactionCatalysis6933 ACTIVATION hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 Thiamine biosynthetic bifunctional enzyme hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21 1.0 ReactionCatalysis6932 ACTIVATION oxythiamine ReactionCatalysis6931 ACTIVATION ReactionCatalysis6930 ACTIVATION 5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone SMILES CC1=C(CCO[P@](O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N CHEBI:15377 ChEBI CHEBI:15378 ChEBI SMILES [H+] 14265-44-2 CAS 2-(2-methylpyridin-3-yl)ethanol pyrithiamine 4-methyl-5-(β-hydroxyethyl)thiazole 4-methyl-5-(2-phosphonooxyethyl)thiazole 58-64-0 CAS SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O 1.0 1.0 Thiamine pyrophosphokinase acid phosphatase PHO3 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate P41835 UniProt C6H8N3O7P2 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate 295.98538 C14H20N4O pyrithiamine 260.1637 Repressible acid phosphatase Acid phosphatase PHO11 C6H9NOS 4-methyl-5-(β-hydroxyethyl)thiazole 143.04048 C8H11NO 2-(2-methylpyridin-3-yl)ethanol 137.08406 C6H8NO4PS 4-methyl-5-(2-phosphonooxyethyl)thiazole 220.99226 644102 PubChem-compound 1.0 reduced electron acceptor 6083 PubChem-compound 1100 ChemSpider 1.0 H2O Water 18.010565 C12H16N3O2S oxythiamine 266.09576 C6H8N2O2 5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone 140.05858 http://identifiers.org/smpdb/SMP02385 SMPDB HMDB00045 HMDB 1061 PubChem-compound 416151 PubChem-compound oxidized electron acceptor Thiamine monophosphate THIAMINE BioCyc HMDB01372 HMDB C01081 KEGG Compound hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20 THI21 THI20 THI21 THI20 THI6 THI6 THI20 PHO12 PHO11 PHO5 PHO3 THI80 Adenosine triphosphate 4-amino-2- methyl-5- phosphomethylpyrimidine Adenosine diphosphate 2-Methyl-4- amino-5- hydroxymethylpyrimidine diphosphate Adenosine triphosphate 4-Amino-5- hydroxymethyl- 2- methylpyrimidine Adenosine diphosphate pyrithiamine Water 2-(2- methylpyridin- 3-yl)ethanol Hydrogen Ion 4-methyl-5- (2- phosphonooxyethyl)thiazole Pyrophosphate Thiamine monophosphate 4-methyl-5- (β- hydroxyethyl)thiazole Adenosine triphosphate Hydrogen Ion Adenosine diphosphate oxythiamine Water Hydrogen Ion 5- (hydroxymethyl)- 2-methyl- 4(1H)- pyrimidinone Water Thiamine Phosphate Adenosine triphosphate Hydrogen Ion Adenosine monophosphate Thiamine pyrophosphate oxidized electron acceptor reduced electron acceptor