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 Small Molecule Pathway Database.
Loading Pathway...
247 PubChem-compound 454-29-5 CAS 249 PubChem-compound 937 ChemSpider HMDB00250 HMDB S-adenosylmethionine synthase isoform type-2 C05330 KEGG Compound 1.0 439153 PubChem-compound SMILES O C10H13N5O4 Adenosine 267.09674 Tetrahydrofolic acid SubPathwayInput CHEBI:15958 ChEBI C5H11NO2 Betaine 117.07898 Alpha-aminoadipic semialdehyde dehydrogenase CHEBI:20506 ChEBI Betaine CHEBI:17230 ChEBI C00440 KEGG Compound ATP BioCyc 6137 PubChem-compound 5-METHYL-THF BioCyc Homocysteine Methionine synthase S-adenosylmethionine synthase isoform type-2 1.0 18714427 ChemSpider 244 ChemSpider Water 242 ChemSpider 559142 ChemSpider CHEBI:15846 ChEBI Betaine 49791978 PubChem-compound HMDB00939 HMDB Betaine--homocysteine S-methyltransferase 1 C15H23N6O5S S-Adenosylmethionine 399.14505 1.0 5742 ChemSpider ReactionCatalysis170 ACTIVATION C00576 KEGG Compound Q93088 UniProt C00212 KEGG Compound One Carbon Pool by Folate SubPathway SMILES CSCC[C@H](N)C(O)=O CHEBI:15022 ChEBI Alpha-aminoadipic semialdehyde dehydrogenase GO:0005829 GENE ONTOLOGY C19H23N7O6 Tetrahydrofolic acid 445.171 1.0 Phosphatidylethanolamine N-methyltransferase BETAINE_ALDEHYDE BioCyc HMDB00902 HMDB 107-43-7 CAS CHEBI:16908 ChEBI ReactionCatalysis168 ACTIVATION ReactionCatalysis169 ACTIVATION ReactionCatalysis166 ACTIVATION ReactionCatalysis167 ACTIVATION ReactionCatalysis164 ACTIVATION 2.1.1.5 false 2.1.1.5 Betaine + Homocysteine → Dimethylglycine + L-Methionine LEFT_TO_RIGHT ADENOSYL-HOMO-CYS BioCyc 1.0 CHEBI:15710 ChEBI ReactionCatalysis165 ACTIVATION Reaction667 false Betaine aldehyde + NAD + Water → Betaine + NADH LEFT_TO_RIGHT 1.1.99.1 false 1.1.99.1 Acceptor + Choline → Betaine aldehyde + Reduced acceptor LEFT_TO_RIGHT O4P Phosphate 94.95342 7418-61-3 CAS C00101 KEGG Compound 1.0 PPI BioCyc 1.0 Mitochondrion THF BioCyc CHEBI:15641 ChEBI HMDB00696 HMDB SMILES C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12 979-92-0 CAS Cytosol 1.0 C00114 KEGG Compound C14H20N6O5S S-Adenosylhomocysteine 384.12158 58-68-4 CAS SMILES NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1 Water SMILES [O-]P([O-])([O-])=O C00009 KEGG Compound 5-Methyltetrahydrofolic acid SubPathwayOutput CHEBI:15414 ChEBI Choline C00001 KEGG Compound Adenosine 1.0 Acceptor CHEBI:18361 ChEBI C00004 KEGG Compound 673 PubChem-compound CHEBI:18367 ChEBI C00003 KEGG Compound 135-16-0 CAS 1032 ChemSpider C00002 KEGG Compound Q8NE62 UniProt HMDB01429 HMDB Q99707 UniProt 4.0 C5H12NO Betaine aldehyde 102.09189 C00019 KEGG Compound 60961 PubChem-compound 1.0 C21H28N7O14P2 NAD 664.11694 1.0 Adenosine triphosphate S-ADENOSYLMETHIONINE BioCyc Extracellular Space C00013 KEGG Compound Homocysteine O7P2 Pyrophosphate 173.91193 C21H29N7O14P2 NADH 665.12476 1.0 1.0 5957 PubChem-compound SMP00123 SMPDB 1.0 SMILES NC(CCS)C(O)=O 1.0 Phosphatidyl-N-methylethanolamine SMILES CCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCC 388301 ChemSpider SMILES CCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCC[N](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC CPD-563 BioCyc MET BioCyc 56-65-5 CAS C00021 KEGG Compound 53-84-9 CAS 1.0 1.0 GO:0005739 GENE ONTOLOGY GO:0005615 GENE ONTOLOGY GO:0005737 GENE ONTOLOGY 1118-68-9 CAS 1.0 1.0 C5H14NO Choline 104.10754 C4H9NO2 Dimethylglycine 103.06333 C5H11NO2S L-Methionine 149.05106 Methionine adenosyltransferase 2 subunit beta Phosphatidyl-ethanolamide HMDB00092 HMDB CL:0000000 CELL TYPE ONTOLOGY 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 CPD-8587 BioCyc HMDB00097 HMDB HMDB01185 HMDB SMILES C[N+](C)(C)CC=O 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 653 ChemSpider HMDB61371 HMDB Transport9 false Betaine (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Mitochondrion LEFT_TO_RIGHT 1.0 HMDB61372 HMDB C00719 KEGG Compound SMILES [O-]P([O-])(=O)OP([O-])([O-])=O 14000-31-8 CAS Phosphatidylethanolamine N-methyltransferase C36H69NO8P Phosphatidyl-N-methylethanolamine 674.4761 C35H66NO8P Phosphatidyl-ethanolamide 659.4526 CHEBI:15339 ChEBI Adenosylhomocysteinase CHEBI:17750 ChEBI S-Adenosylmethionine Transport10 false Choline (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Mitochondrion LEFT_TO_RIGHT SMILES C[N+](C)(C)CCO Dimethylglycine Cytoplasm HMDB00538 HMDB SMILES CN(C)CC(O)=O Cell Choline dehydrogenase, mitochondrial CHEBI:15422 ChEBI 305 PubChem-compound CHEBI:17724 ChEBI Methionine adenosyltransferase 2 subunit beta 7732-18-5 CAS 388299 ChemSpider Acceptor Reduced acceptor C01026 KEGG Compound NAD SMILES C[N+](C)(C)CC([O-])=O L-Methionine SMILES NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 63-68-3 CAS 1.0 P31153 UniProt 5907 ChemSpider Water CHEBI:16643 ChEBI C10H16N5O13P3 Adenosine triphosphate 506.99576 Q9UBM1 UniProt 58-61-7 CAS Pyrophosphate P23526 UniProt S-Adenosylhomocysteine 1.0 C00073 KEGG Compound C20H25N7O6 5-Methyltetrahydrofolic acid 459.18665 2.0 HMDB01846 HMDB S-adenosylmethionine synthase 1.0 NADH 9606 TAXONOMY 962 PubChem-compound 1.0 DIMETHYL-GLYCINE BioCyc 31983 ChemSpider CHEBI:16335 ChEBI 1.0 Alpha-aminoadipic semialdehyde dehydrogenase HMDB00050 HMDB Adenosylhomocysteinase 5893 PubChem-compound HMDB02111 HMDB 439234 PubChem-compound BETAINE BioCyc Betaine aldehyde 299 ChemSpider Methionine synthase Adenosylhomocysteinase BiologicalState8 BiologicalState3 Reaction672 false Phosphatidyl-ethanolamide + S-Adenosylmethionine → Phosphatidyl-N-methylethanolamine + S-Adenosylhomocysteine LEFT_TO_RIGHT 3.3.1.1 false 3.3.1.1 S-Adenosylhomocysteine + Water → Adenosine + Homocysteine LEFT_TO_RIGHT 2.1.1.13 false 2.1.1.13 5-Methyltetrahydrofolic acid + Homocysteine → L-Methionine + Tetrahydrofolic acid LEFT_TO_RIGHT C4H9NO2S Homocysteine 135.0354 2.5.1.6 false 2.5.1.6 Adenosine triphosphate + L-Methionine + Water → Phosphate + Pyrophosphate + S-Adenosylmethionine LEFT_TO_RIGHT BiologicalState2 ADENOSINE BioCyc CHEBI:15377 ChEBI PW000012 PathWhiz 14265-44-2 CAS HMDB00742 HMDB 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 4.0 1.0 1.0 Phosphate HOMO-CYS BioCyc HMDB01396 HMDB Choline dehydrogenase, mitochondrial SMILES CN1C(CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2 HMDB01487 HMDB 4.0 4462 PubChem-compound 644102 PubChem-compound Q9NZL9 UniProt Betaine 388371 ChemSpider 1.0 SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 757 ChemSpider 25246222 PubChem-compound 1.0 H2O Water 18.010565 54923 ChemSpider NADH BioCyc NAD BioCyc Choline 29908-03-0 CAS CHEBI:15354 ChEBI 1061 PubChem-compound Reduced acceptor Betaine Metabolism 1.0 CHEBI:16680 ChEBI 62-49-7 CAS Betaine--homocysteine S-methyltransferase 1 HMDB01252 HMDB Betaine aldehyde HMDB00043 HMDB P49419 UniProt Betaine--homocysteine S-methyltransferase 1 24762165 PubChem-compound SubPathwayInteraction16 SubPathwayReaction SubPathway16Reaction Choline 134-35-0 CAS 1.0 13781857 PubChem-compound S-Adenosylmethionine Alpha- aminoadipic semialdehyde dehydrogenase Betaine-- homocysteine S- methyltransferase 1 Methionine synthase S- adenosylmethionine synthase isoform type-2 Methionine adenosyltransferase 2 subunit beta Adenosylhomocysteinase Choline dehydrogenase, mitochondrial Phosphatidylethanolamine N- methyltransferase Tetrahydrofolic acid 5-Methyltetrahydrofolic acid Betaine Betaine Choline Choline Betaine aldehyde NAD H 2 O NADH Homocysteine Dimethylglycine L-Methionine ATP H 2 O S-Adenosylmethionine P i PP i S-Adenosylhomocysteine H 2 O Adenosine Phosphatidyl-ethanolamide Phosphatidyl-N- methylethanolamine Zinc (II) ion Zinc (II) ion Magnesium Potassium NAD FAD Acceptor Reduced acceptor One Carbon Pool by Folate Extracellular Space Intracellular Space Liver Kidney
247 PubChem-compound 454-29-5 CAS 249 PubChem-compound 937 ChemSpider HMDB00250 HMDB S-adenosylmethionine synthase isoform type-2 C05330 KEGG Compound 1.0 439153 PubChem-compound SMILES O C10H13N5O4 Adenosine 267.09674 Tetrahydrofolic acid SubPathwayInput CHEBI:15958 ChEBI C5H11NO2 Betaine 117.07898 Alpha-aminoadipic semialdehyde dehydrogenase CHEBI:20506 ChEBI Betaine CHEBI:17230 ChEBI C00440 KEGG Compound ATP BioCyc 6137 PubChem-compound 5-METHYL-THF BioCyc Homocysteine Methionine synthase S-adenosylmethionine synthase isoform type-2 1.0 18714427 ChemSpider 244 ChemSpider Water 242 ChemSpider 559142 ChemSpider CHEBI:15846 ChEBI Betaine 49791978 PubChem-compound HMDB00939 HMDB Betaine--homocysteine S-methyltransferase 1 C15H23N6O5S S-Adenosylmethionine 399.14505 1.0 5742 ChemSpider ReactionCatalysis170 ACTIVATION C00576 KEGG Compound Q93088 UniProt C00212 KEGG Compound One Carbon Pool by Folate SubPathway SMILES CSCC[C@H](N)C(O)=O CHEBI:15022 ChEBI Alpha-aminoadipic semialdehyde dehydrogenase GO:0005829 GENE ONTOLOGY C19H23N7O6 Tetrahydrofolic acid 445.171 1.0 Phosphatidylethanolamine N-methyltransferase BETAINE_ALDEHYDE BioCyc HMDB00902 HMDB 107-43-7 CAS CHEBI:16908 ChEBI ReactionCatalysis168 ACTIVATION ReactionCatalysis169 ACTIVATION ReactionCatalysis166 ACTIVATION ReactionCatalysis167 ACTIVATION ReactionCatalysis164 ACTIVATION 2.1.1.5 false 2.1.1.5 Betaine + Homocysteine → Dimethylglycine + L-Methionine LEFT_TO_RIGHT ADENOSYL-HOMO-CYS BioCyc 1.0 CHEBI:15710 ChEBI ReactionCatalysis165 ACTIVATION Reaction667 false Betaine aldehyde + NAD + Water → Betaine + NADH LEFT_TO_RIGHT 1.1.99.1 false 1.1.99.1 Acceptor + Choline → Betaine aldehyde + Reduced acceptor LEFT_TO_RIGHT O4P Phosphate 94.95342 7418-61-3 CAS C00101 KEGG Compound 1.0 PPI BioCyc 1.0 Mitochondrion THF BioCyc CHEBI:15641 ChEBI HMDB00696 HMDB SMILES C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12 979-92-0 CAS Cytosol 1.0 C00114 KEGG Compound C14H20N6O5S S-Adenosylhomocysteine 384.12158 58-68-4 CAS SMILES NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1 Water SMILES [O-]P([O-])([O-])=O C00009 KEGG Compound 5-Methyltetrahydrofolic acid SubPathwayOutput CHEBI:15414 ChEBI Choline C00001 KEGG Compound Adenosine 1.0 Acceptor CHEBI:18361 ChEBI C00004 KEGG Compound 673 PubChem-compound CHEBI:18367 ChEBI C00003 KEGG Compound 135-16-0 CAS 1032 ChemSpider C00002 KEGG Compound Q8NE62 UniProt HMDB01429 HMDB Q99707 UniProt 4.0 C5H12NO Betaine aldehyde 102.09189 C00019 KEGG Compound 60961 PubChem-compound 1.0 C21H28N7O14P2 NAD 664.11694 1.0 Adenosine triphosphate S-ADENOSYLMETHIONINE BioCyc Extracellular Space C00013 KEGG Compound Homocysteine O7P2 Pyrophosphate 173.91193 C21H29N7O14P2 NADH 665.12476 1.0 1.0 5957 PubChem-compound http://identifiers.org/smpdb/SMP00123 SMPDB 1.0 SMILES NC(CCS)C(O)=O 1.0 Phosphatidyl-N-methylethanolamine SMILES CCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCC 388301 ChemSpider SMILES CCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCC[N](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC CPD-563 BioCyc MET BioCyc 56-65-5 CAS C00021 KEGG Compound 53-84-9 CAS 1.0 1.0 GO:0005739 GENE ONTOLOGY GO:0005615 GENE ONTOLOGY GO:0005737 GENE ONTOLOGY 1118-68-9 CAS 1.0 1.0 C5H14NO Choline 104.10754 C4H9NO2 Dimethylglycine 103.06333 C5H11NO2S L-Methionine 149.05106 Methionine adenosyltransferase 2 subunit beta Phosphatidyl-ethanolamide HMDB00092 HMDB CL:0000000 CELL TYPE ONTOLOGY 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 CPD-8587 BioCyc HMDB00097 HMDB HMDB01185 HMDB SMILES C[N+](C)(C)CC=O 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 653 ChemSpider HMDB61371 HMDB Transport9 false Betaine (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Mitochondrion LEFT_TO_RIGHT 1.0 HMDB61372 HMDB C00719 KEGG Compound SMILES [O-]P([O-])(=O)OP([O-])([O-])=O 14000-31-8 CAS Phosphatidylethanolamine N-methyltransferase C36H69NO8P Phosphatidyl-N-methylethanolamine 674.4761 C35H66NO8P Phosphatidyl-ethanolamide 659.4526 CHEBI:15339 ChEBI Adenosylhomocysteinase CHEBI:17750 ChEBI S-Adenosylmethionine Transport10 false Choline (→) Transport: Homo sapiens, Extracellular Space to Homo sapiens, Cell, Mitochondrion LEFT_TO_RIGHT SMILES C[N+](C)(C)CCO Dimethylglycine Cytoplasm HMDB00538 HMDB SMILES CN(C)CC(O)=O Cell Choline dehydrogenase, mitochondrial CHEBI:15422 ChEBI 305 PubChem-compound CHEBI:17724 ChEBI Methionine adenosyltransferase 2 subunit beta 7732-18-5 CAS 388299 ChemSpider Acceptor Reduced acceptor C01026 KEGG Compound NAD SMILES C[N+](C)(C)CC([O-])=O L-Methionine SMILES NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 63-68-3 CAS 1.0 P31153 UniProt 5907 ChemSpider Water CHEBI:16643 ChEBI C10H16N5O13P3 Adenosine triphosphate 506.99576 Q9UBM1 UniProt 58-61-7 CAS Pyrophosphate P23526 UniProt S-Adenosylhomocysteine 1.0 C00073 KEGG Compound C20H25N7O6 5-Methyltetrahydrofolic acid 459.18665 2.0 HMDB01846 HMDB S-adenosylmethionine synthase 1.0 NADH 9606 TAXONOMY 962 PubChem-compound 1.0 DIMETHYL-GLYCINE BioCyc 31983 ChemSpider CHEBI:16335 ChEBI 1.0 Alpha-aminoadipic semialdehyde dehydrogenase HMDB00050 HMDB Adenosylhomocysteinase 5893 PubChem-compound HMDB02111 HMDB 439234 PubChem-compound BETAINE BioCyc Betaine aldehyde 299 ChemSpider Methionine synthase Adenosylhomocysteinase BiologicalState8 Homo sapiens, Cell, Cytoplasm BiologicalState3 Homo sapiens, Cell, Mitochondrion Reaction672 false Phosphatidyl-ethanolamide + S-Adenosylmethionine → Phosphatidyl-N-methylethanolamine + S-Adenosylhomocysteine LEFT_TO_RIGHT 3.3.1.1 false 3.3.1.1 S-Adenosylhomocysteine + Water → Adenosine + Homocysteine LEFT_TO_RIGHT 2.1.1.13 false 2.1.1.13 5-Methyltetrahydrofolic acid + Homocysteine → L-Methionine + Tetrahydrofolic acid LEFT_TO_RIGHT C4H9NO2S Homocysteine 135.0354 2.5.1.6 false 2.5.1.6 Adenosine triphosphate + L-Methionine + Water → Phosphate + Pyrophosphate + S-Adenosylmethionine LEFT_TO_RIGHT BiologicalState2 Homo sapiens, Cell, Cytosol ADENOSINE BioCyc CHEBI:15377 ChEBI PW000012 PathWhiz 14265-44-2 CAS HMDB00742 HMDB 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 4.0 1.0 1.0 Phosphate HOMO-CYS BioCyc HMDB01396 HMDB Choline dehydrogenase, mitochondrial SMILES CN1C(CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2 HMDB01487 HMDB 4.0 4462 PubChem-compound 644102 PubChem-compound Q9NZL9 UniProt Betaine 388371 ChemSpider 1.0 SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O 757 ChemSpider 25246222 PubChem-compound 1.0 H2O Water 18.010565 54923 ChemSpider NADH BioCyc NAD BioCyc Choline 29908-03-0 CAS CHEBI:15354 ChEBI 1061 PubChem-compound Reduced acceptor Betaine Metabolism 1.0 CHEBI:16680 ChEBI 62-49-7 CAS Betaine--homocysteine S-methyltransferase 1 HMDB01252 HMDB Betaine aldehyde HMDB00043 HMDB P49419 UniProt Betaine--homocysteine S-methyltransferase 1 24762165 PubChem-compound SubPathwayInteraction16 SubPathwayReaction SubPathway16Reaction Choline 134-35-0 CAS 1.0 13781857 PubChem-compound S-Adenosylmethionine ALDH7A1 BHMT MTR MAT2A MAT2B AHCY CHDH PEMT Tetrahydrofolic acid 5- Methyltetrahydrofolic acid Betaine Betaine Choline Choline Betaine aldehyde NAD Water NADH Homocysteine Dimethylglycine L-Methionine Adenosine triphosphate Water S- Adenosylmethionine Phosphate Pyrophosphate S- Adenosylhomocysteine Water Adenosine Phosphatidyl- ethanolamide Phosphatidyl- N- methylethanolamine Acceptor Reduced acceptor One Carbon Pool by Folate