Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1195)
Drug Name
Omega-6-FA
Synonyms Fatty Acids, Omega-6; Omega-6 Fatty Acids; Omega-6 Polyunsaturates; N-6 Fatty Acids; SCHEMBL17080398
Indication Attention deficit hyperactivity disorder [ICD11: 6A05] Phase 3 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 584.9 Topological Polar Surface Area 74.6
Heavy Atom Count 42 Rotatable Bond Count 28
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
56842208
Formula
C38H64O4
Canonical SMILES
CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
InChI
1S/C20H32O2.C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-,16-15-;7-6-,10-9-
InChIKey
ZCDMRPMKAQLWAO-PZLFCYFRSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Gamma-Linolenic acid DM005933
5280933
Other reaction - Desaturation 1 [2]
Dihomo-gamma-linolenic acid DM005934
5280581
Other reaction - Elongation 2 [2]
AA DM003578
444899
Multi-steps Reaction - Elongation; desaturation 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006388 Omega-6-FA Gamma-Linolenic acid Other reaction - Desaturation FADS2 [2]
MR006389 Gamma-Linolenic acid Dihomo-gamma-linolenic acid Other reaction - Elongation ELOVL5 [2]
MR006390 Dihomo-gamma-linolenic acid Arachidonic acid Multi-steps Reaction - Elongation; desaturation FADS1 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arachidonate 5-lipoxygenase (ALOX5) DME0201 Homo sapiens
LOX5_HUMAN
1.13.11.34
[2]
Elongation of very long chain fatty acids protein 5 (ELOVL5) DMEN300 Homo sapiens
ELOV5_HUMAN
2.3.1.199
[2]
Fatty acid desaturase 1 (FADS1) DME0202 Homo sapiens
FADS1_HUMAN
1.14.19.44
[2]
Fatty acid desaturase 2 (FADS2) DME0203 Homo sapiens
FADS2_HUMAN
1.14.19.3
[2]
Prostaglandin G/H synthase 2 (COX-2) DME0114 Homo sapiens
PGH2_HUMAN
1.14.99.1
[2]
References
1 ClinicalTrials.gov (NCT01219309) Omega-3/Omega-6 Fatty Acids for Attention-Deficit/Hyperactivity Disorder (ADHD): A Trial in Children and Adolescents.
2 Health implications of high dietary omega-6 polyunsaturated Fatty acids. J Nutr Metab. 2012;2012:539426.

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