Quantitative metabolomics services for biomarker discovery and validation.
Specializing in ready to use metabolomics kits.
Your source for quantitative metabolomics technologies and bioinformatics.

Loading Pathway...

6022 PubChem-compound C00798 KEGG Compound C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider 1.0 CHEBI:49189 ChEBI 439153 PubChem-compound C02060 KEGG Compound Phytanoyl-CoA dioxygenase, peroxisomal SMILES O 50 ChemSpider 4.0 HMDB0000538 HMDB ATP BioCyc SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C=O Transport1569 false Phytanoyl-CoA (→) Transport: Homo sapiens, Cell, Cytoplasm to Homo sapiens, Cell, Peroxisome LEFT_TO_RIGHT 6816 PubChem-compound 51 PubChem-compound Carbon dioxide 559142 ChemSpider C25H42N7O17P3S Isobutyryl-CoA 837.15704 CHEBI:15846 ChEBI ADP BioCyc NAD Fatty aldehyde dehydrogenase Very long-chain acyl-CoA synthetase 5742 ChemSpider PW000041 PathWhiz 1.0 952 ChemSpider ISOBUTYRYL-COA BioCyc HMDB0000795 HMDB 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)NCCSC=O 274 ChemSpider C5H6O5 Oxoglutaric acid 146.02153 CHEBI:16908 ChEBI C00100 KEGG Compound 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@@H](O)C(=O)NCCC(=O)NCCS 1189-37-3 CAS 439164 PubChem-compound PPI BioCyc Fatty aldehyde dehydrogenase Acetyl-CoA SubPathwayOutput CHEBI:15522 ChEBI C24H40N7O17P3S Propionyl-CoA 823.1414 1.0 ATP-binding cassette sub-family D member 1 2-hydroxyacyl-CoA lyase 1 2-hydroxyacyl-CoA lyase 1 ATP-binding cassette sub-family D member 2 Water HMDB0000208 HMDB CPD-6641 BioCyc Formyl-CoA 1.0 388310 ChemSpider SUC BioCyc 58-68-4 CAS HMDB0001423 HMDB CHEBI:51340 ChEBI SMILES OC(=O)CCC(=O)C(O)=O CHEBI:30915 ChEBI 124-38-9 CAS C00008 KEGG Compound C00007 KEGG Compound C41H74N7O18P3S 2-Hydroxyphytanoyl-CoA 1077.4023 388444 ChemSpider C19H38O2 Pristanic acid 298.28717 C41H74N7O17P3S Phytanoyl-CoA 1061.4075 C00001 KEGG Compound PROPIONYL-COA BioCyc CHEBI:18361 ChEBI 1.0 C00004 KEGG Compound C00003 KEGG Compound C20H40O2 Phytanic acid 312.30283 C00002 KEGG Compound 13131-49-2 CAS CHEBI:15741 ChEBI 13628282 ChemSpider 1.0 C21H28N7O14P2 NAD 664.11694 Adenosine triphosphate 441263 PubChem-compound C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound HMDB0000902 HMDB 1110 PubChem-compound C00013 KEGG Compound O7P2 Pyrophosphate 173.91193 26840 PubChem-compound C21H29N7O14P2 NADH 665.12476 5957 PubChem-compound HMDB0001206 HMDB 1.0 C4H6O4 Succinic acid 118.02661 CPD-206 BioCyc 3036931 PubChem-compound 1.0 1.2.1.3 false 1.2.1.3 NAD + Pristanal + Water → NADH + Pristanic acid LEFT_TO_RIGHT FORMYL-COA BioCyc 56-65-5 CAS 1.0 53-84-9 CAS CHEBI:16285 ChEBI C00026 KEGG Compound C00024 KEGG Compound 317-66-8 CAS C07343 KEGG Compound C10H15N5O10P2 Adenosine diphosphate 427.02942 GO:0005737 GENE ONTOLOGY 439640 PubChem-compound 1.14.11.18 false 1.14.11.18 Oxoglutaric acid + Oxygen + Phytanoyl-CoA → 2-Hydroxyphytanoyl-CoA + Carbon dioxide + Succinic acid LEFT_TO_RIGHT Coenzyme A 4.1.-.- false 4.1.-.- 2-Hydroxyphytanoyl-CoA → Formyl-CoA + Pristanal LEFT_TO_RIGHT Reaction862 false Adenosine triphosphate + Coenzyme A + Phytanic acid → Adenosine diphosphate + Phytanoyl-CoA + Pyrophosphate LEFT_TO_RIGHT Phytanoyl-CoA ReactionCatalysis432 ACTIVATION ReactionCatalysis433 ACTIVATION 2300823 ChemSpider ReactionCatalysis431 ACTIVATION Pristanic acid SubPathwayInput HMDB0000801 HMDB 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 Phytanoyl-CoA dioxygenase, peroxisomal 5682 ChemSpider 328-50-7 CAS 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 CHEBI:1146900 ChEBI HMDB0000254 HMDB Peroxisome SMILES OC(=O)CCC(O)=O 439313 PubChem-compound 105373-75-9 CAS C22H36N7O17P3S Formyl-CoA 795.1101 390032 ChemSpider 172787-73-4 CAS 2-Hydroxyphytanoyl-CoA TransportCatalysis995 ACTIVATION HMDB0000250 HMDB SMILES [O-]P([O-])(=O)OP([O-])([O-])=O HMDB0001341 HMDB 14000-31-8 CAS Isobutyryl-CoA SubPathwayOutput Phytanic acid CO-A BioCyc NADH C00042 KEGG Compound 1.0 1078 ChemSpider 72-89-9 CAS SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Oxygen C21H36N7O16P3S Coenzyme A 767.11523 2-HYDROXYPHYTANOYL-COA BioCyc HMDB0001359 HMDB 110458 ChemSpider 1.0 Cytoplasm 1.0 123929 PubChem-compound 1.0 1.0 CHEBI:15422 ChEBI 25001 ChemSpider 6557 ChemSpider Homo sapiens HMDB0003419 HMDB 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 7732-18-5 CAS 388299 ChemSpider HMDB0001487 HMDB SubPathwayInteraction67 SubPathway67Reaction SubPathwayReaction Phytanic Acid Peroxisomal Oxidation O2 Oxygen 31.98983 P51648 UniProt O14975 UniProt Pristanal CHEBI:15539 ChEBI CHEBI:15538 ChEBI Adenosine diphosphate 15621-60-0 CAS HMDB0001243 HMDB C10H16N5O13P3 Adenosine triphosphate 506.99576 CHEBI:16526 ChEBI CHEBI:16761 ChEBI Pyrophosphate 7782-44-7 CAS HMDB0001377 HMDB SMILES CC(C)C(=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 GO:0005777 GENE ONTOLOGY ReactionCatalysis434 ACTIVATION 9606 TAXONOMY 962 PubChem-compound 14721-66-5 CAS Succinic acid C01607 KEGG Compound Oxoglutaric acid 388712 ChemSpider 2-KETOGLUTARATE BioCyc ATP-binding cassette sub-family D Q9UBJ2 UniProt SubPathwayInteraction754 SubPathwayReaction SubPathway754Reaction 5800 ChemSpider 392413 ChemSpider 1.0 CO2 Carbon dioxide 43.98983 1.0 5893 PubChem-compound C00630 KEGG Compound SMILES O=O 110-15-6 CAS O14832 UniProt 14671060 PubChem-compound HMDB0002111 HMDB 1.0 CHEBI:15377 ChEBI 2-hydroxyacyl-CoA lyase 1 CHEBI:15379 ChEBI 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 Phytanoyl-CoA Beta Oxidation SubPathway 1.0 280 PubChem-compound SMP0000450 SMPDB HMDB0001275 HMDB P33897 UniProt 644102 PubChem-compound 444493 PubChem-compound HMDB0001958 HMDB SMILES CCC(=O)SCCNC(=O)CCNC(=O)C(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 Very long-chain acyl-CoA synthetase 1.0 ACETYL-COA BioCyc 146622-45-9 CAS SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(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 H2O Water 18.010565 NADH BioCyc NAD BioCyc CHEBI:15475 ChEBI 977 PubChem-compound CHEBI:15479 ChEBI SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O HMDB0001967 HMDB ATP-binding cassette sub-family D member 1 Q9UJ83 UniProt SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O CHEBI:15351 ChEBI Propionyl-CoA SubPathwayOutput ATP-binding cassette sub-family D member 2 SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(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 C19H38O Pristanal 282.29227 1.0 85-61-0 CAS HMDB0001295 HMDB ATP-binding cassette sub-family D member 1 ATP-binding cassette sub-family D member 2 Very long-chain acyl-CoA synthetase 2- hydroxyacyl- CoA lyase 1 Fatty aldehyde dehydrogenase Phytanoyl-CoA dioxygenase, peroxisomal Pristanic acid Acetyl-CoA Propionyl-CoA Isobutyryl-CoA Phytanoyl-CoA Phytanoyl-CoA Phytanic acid ATP Coenzyme A ADP PP i 2-Hydroxyphytanoyl-CoA Pristanal Formyl-CoA NAD H 2 O NADH Oxoglutaric acid O 2 Succinic acid CO 2 Magnesium Thiamine pyrophosphate Iron Ascorbic acid Beta Oxidation Phytanic Acid Peroxisomal Oxidation Peroxisome Intracellular Space Extracellular Space
6022 PubChem-compound C00798 KEGG Compound C23H38N7O17P3S Acetyl-CoA 809.1258 937 ChemSpider 1.0 CHEBI:49189 ChEBI 439153 PubChem-compound C02060 KEGG Compound Phytanoyl-CoA dioxygenase, peroxisomal SMILES O 50 ChemSpider 4.0 HMDB0000538 HMDB ATP BioCyc SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C=O Transport1569 false Phytanoyl-CoA (→) Transport: Homo sapiens, Cell, Cytoplasm to Homo sapiens, Cell, Peroxisome LEFT_TO_RIGHT 6816 PubChem-compound 51 PubChem-compound Carbon dioxide 559142 ChemSpider C25H42N7O17P3S Isobutyryl-CoA 837.15704 CHEBI:15846 ChEBI ADP BioCyc NAD Fatty aldehyde dehydrogenase Very long-chain acyl-CoA synthetase 5742 ChemSpider PW000041 PathWhiz 1.0 952 ChemSpider ISOBUTYRYL-COA BioCyc HMDB0000795 HMDB 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)NCCSC=O 274 ChemSpider C5H6O5 Oxoglutaric acid 146.02153 CHEBI:16908 ChEBI C00100 KEGG Compound 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@@H](O)C(=O)NCCC(=O)NCCS 1189-37-3 CAS 439164 PubChem-compound PPI BioCyc Fatty aldehyde dehydrogenase Acetyl-CoA SubPathwayOutput CHEBI:15522 ChEBI C24H40N7O17P3S Propionyl-CoA 823.1414 1.0 ATP-binding cassette sub-family D member 1 2-hydroxyacyl-CoA lyase 1 2-hydroxyacyl-CoA lyase 1 ATP-binding cassette sub-family D member 2 Water HMDB0000208 HMDB CPD-6641 BioCyc Formyl-CoA 1.0 388310 ChemSpider SUC BioCyc 58-68-4 CAS HMDB0001423 HMDB CHEBI:51340 ChEBI SMILES OC(=O)CCC(=O)C(O)=O CHEBI:30915 ChEBI 124-38-9 CAS C00008 KEGG Compound C00007 KEGG Compound C41H74N7O18P3S 2-Hydroxyphytanoyl-CoA 1077.4023 388444 ChemSpider C19H38O2 Pristanic acid 298.28717 C41H74N7O17P3S Phytanoyl-CoA 1061.4075 C00001 KEGG Compound PROPIONYL-COA BioCyc CHEBI:18361 ChEBI 1.0 C00004 KEGG Compound C00003 KEGG Compound C20H40O2 Phytanic acid 312.30283 C00002 KEGG Compound 13131-49-2 CAS CHEBI:15741 ChEBI 13628282 ChemSpider 1.0 C21H28N7O14P2 NAD 664.11694 Adenosine triphosphate 441263 PubChem-compound C00011 KEGG Compound SMILES O=C=O C00010 KEGG Compound HMDB0000902 HMDB 1110 PubChem-compound C00013 KEGG Compound O7P2 Pyrophosphate 173.91193 26840 PubChem-compound C21H29N7O14P2 NADH 665.12476 5957 PubChem-compound HMDB0001206 HMDB 1.0 C4H6O4 Succinic acid 118.02661 CPD-206 BioCyc 3036931 PubChem-compound 1.0 1.2.1.3 false 1.2.1.3 NAD + Pristanal + Water → NADH + Pristanic acid LEFT_TO_RIGHT FORMYL-COA BioCyc 56-65-5 CAS 1.0 53-84-9 CAS CHEBI:16285 ChEBI C00026 KEGG Compound C00024 KEGG Compound 317-66-8 CAS C07343 KEGG Compound C10H15N5O10P2 Adenosine diphosphate 427.02942 GO:0005737 GENE ONTOLOGY 439640 PubChem-compound 1.14.11.18 false 1.14.11.18 Oxoglutaric acid + Oxygen + Phytanoyl-CoA → 2-Hydroxyphytanoyl-CoA + Carbon dioxide + Succinic acid LEFT_TO_RIGHT Coenzyme A 4.1.-.- false 4.1.-.- 2-Hydroxyphytanoyl-CoA → Formyl-CoA + Pristanal LEFT_TO_RIGHT Reaction862 false Adenosine triphosphate + Coenzyme A + Phytanic acid → Adenosine diphosphate + Phytanoyl-CoA + Pyrophosphate LEFT_TO_RIGHT Phytanoyl-CoA ReactionCatalysis432 ACTIVATION ReactionCatalysis433 ACTIVATION 2300823 ChemSpider ReactionCatalysis431 ACTIVATION Pristanic acid SubPathwayInput HMDB0000801 HMDB 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 Phytanoyl-CoA dioxygenase, peroxisomal 5682 ChemSpider 328-50-7 CAS 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 CHEBI:1146900 ChEBI HMDB0000254 HMDB Peroxisome SMILES OC(=O)CCC(O)=O 439313 PubChem-compound 105373-75-9 CAS C22H36N7O17P3S Formyl-CoA 795.1101 390032 ChemSpider 172787-73-4 CAS 2-Hydroxyphytanoyl-CoA TransportCatalysis995 ACTIVATION HMDB0000250 HMDB SMILES [O-]P([O-])(=O)OP([O-])([O-])=O HMDB0001341 HMDB 14000-31-8 CAS Isobutyryl-CoA SubPathwayOutput Phytanic acid CO-A BioCyc NADH C00042 KEGG Compound 1.0 1078 ChemSpider 72-89-9 CAS SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Oxygen C21H36N7O16P3S Coenzyme A 767.11523 2-HYDROXYPHYTANOYL-COA BioCyc HMDB0001359 HMDB 110458 ChemSpider 1.0 Cytoplasm 1.0 123929 PubChem-compound 1.0 1.0 CHEBI:15422 ChEBI 25001 ChemSpider 6557 ChemSpider Homo sapiens HMDB0003419 HMDB 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 7732-18-5 CAS 388299 ChemSpider HMDB0001487 HMDB SubPathwayInteraction67 SubPathway67Reaction SubPathwayReaction Phytanic Acid Peroxisomal Oxidation O2 Oxygen 31.98983 P51648 UniProt O14975 UniProt Pristanal CHEBI:15539 ChEBI CHEBI:15538 ChEBI Adenosine diphosphate 15621-60-0 CAS HMDB0001243 HMDB C10H16N5O13P3 Adenosine triphosphate 506.99576 CHEBI:16526 ChEBI CHEBI:16761 ChEBI Pyrophosphate 7782-44-7 CAS HMDB0001377 HMDB SMILES CC(C)C(=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 GO:0005777 GENE ONTOLOGY ReactionCatalysis434 ACTIVATION 9606 TAXONOMY 962 PubChem-compound 14721-66-5 CAS Succinic acid C01607 KEGG Compound Oxoglutaric acid 388712 ChemSpider 2-KETOGLUTARATE BioCyc ATP-binding cassette sub-family D Q9UBJ2 UniProt SubPathwayInteraction754 SubPathwayReaction SubPathway754Reaction 5800 ChemSpider 392413 ChemSpider 1.0 CO2 Carbon dioxide 43.98983 1.0 5893 PubChem-compound C00630 KEGG Compound SMILES O=O 110-15-6 CAS O14832 UniProt 14671060 PubChem-compound HMDB0002111 HMDB 1.0 CHEBI:15377 ChEBI 2-hydroxyacyl-CoA lyase 1 CHEBI:15379 ChEBI 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 Phytanoyl-CoA Beta Oxidation SubPathway 1.0 280 PubChem-compound SMP0000450 SMPDB HMDB0001275 HMDB P33897 UniProt 644102 PubChem-compound 444493 PubChem-compound HMDB0001958 HMDB SMILES CCC(=O)SCCNC(=O)CCNC(=O)C(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 Very long-chain acyl-CoA synthetase 1.0 ACETYL-COA BioCyc 146622-45-9 CAS SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(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 H2O Water 18.010565 NADH BioCyc NAD BioCyc CHEBI:15475 ChEBI 977 PubChem-compound CHEBI:15479 ChEBI SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O HMDB0001967 HMDB ATP-binding cassette sub-family D member 1 Q9UJ83 UniProt SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O CHEBI:15351 ChEBI Propionyl-CoA SubPathwayOutput ATP-binding cassette sub-family D member 2 SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(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 C19H38O Pristanal 282.29227 1.0 85-61-0 CAS HMDB0001295 HMDB Peroxisome Unknown Unknown SLC27A2 HACL1 ALDH3A2 PHYH Pristanic acid Acetyl-CoA Propionyl-CoA Isobutyryl-CoA Phytanoyl-CoA Phytanoyl-CoA Phytanic acid Adenosine triphosphate Coenzyme A Adenosine diphosphate Pyrophosphate 2- Hydroxyphytanoyl- CoA Pristanal Formyl-CoA NAD Water NADH Oxoglutaric acid Oxygen Succinic acid Carbon dioxide Beta Oxidation Phytanic Acid Peroxisomal Oxidation