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

General Information of Drug (ID: DR1989)
Drug Name
Eicosadienoic acid
Synonyms
Eicosadienoic acid; HOMO-GAMMA-LINOLEICACID; Homo-gamma-linoleic acid; Icosadienoic acid; SCHEMBL416181; cis-11,14-Eicosadienoic acid; cis-11,14-eicosadienoicacid; (11Z,14Z)-Eicosa-11,14-dienoic acid; (11Z,14Z)-Icosa-11,14-dienoic acid; (11Z,14Z)-icosadienoic acid; 11, 14-icosadienoate; 11, 14-icosadienoic acid; 11,14-Eicosadienoate; 11,14-Eicosadienoic acid, (Z,Z)-; 11,14-Icosadienoic acid; 11C,14C-Eicosadienoic acid; 11Z,14Z-eicosadienoic acid; 2091-39-6; 5598-38-9; AC1O5SJA; BSPBio_001326; CHEBI:73731; CHEMBL464983; FA 20:2
Indication Discovery agent Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 308.5 Topological Polar Surface Area 37.3
Heavy Atom Count 22 Rotatable Bond Count 16
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
6439848
ChEBI ID
CHEBI:73731
CAS Number
5598-38-9
Formula
C20H36O2
Canonical SMILES
CCCCCC=CCC=CCCCCCCCCCC(=O)O
InChI
1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
InChIKey
XSXIVVZCUAHUJO-HZJYTTRNSA-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
Dihomo--Linolenic Acid DM003867
5282826
Unclear 1 [1]
Sciadonic Acid DM003869
445084
Unclear 1 [1]
AA DM003578
444899
Unclear 2 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004231 Eicosadienoic acid Dihomo--Linolenic Acid Unclear Unclear [1]
MR004233 Eicosadienoic acid Sciadonic Acid Unclear Unclear [1]
MR004232 Dihomo--Linolenic Acid Arachidonic Acid Unclear Unclear [1]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Prostaglandin G/H synthase 1 (COX-1) DME0091 Homo sapiens
PGH1_HUMAN
1.14.99.1
[2]
Prostaglandin G/H synthase 2 (COX-2) DME0114 Homo sapiens
PGH2_HUMAN
1.14.99.1
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Prostaglandin G/H synthase 1 (COX-1) DME0091 Km = 0.0052 microM
PGH1_HUMAN
[2]
Prostaglandin G/H synthase 2 (COX-2) DME0114 Km = 0.0052 microM
PGH2_HUMAN
[2]
References
1 Eicosadienoic acid differentially modulates production of pro-inflammatory modulators in murine macrophages. Mol Cell Biochem. 2011 Dec;358(1-2):85-94.
2 Divergent cyclooxygenase responses to fatty acid structure and peroxide level in fish and mammalian prostaglandin H synthases. FASEB J. 2006 Jun;20(8):1097-108.

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