Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM003542)
DM Name
Fatty acid
Synonyms Epanova|n-3 PUFA|Omefas|n-3 PUFAs|D0G7WY|QPEOIOLHJXXJFN-GNGJDXFDSA-N|F005100000|Anti-hypertriglycemic (oral/capsule, hypertriglyceridemia/crohn's disease), Omthera
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 909.4 Topological Polar Surface Area 112
Heavy Atom Count 66 Rotatable Bond Count 40
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
PubChem CID
56842239
Complexity
1160
Formula
C60H92O6
Canonical SMILES
CCC=CCC=CCC=CCCCCCCCC(=O)O.CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O.CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
InChI
InChI=1S/C22H32O2.C20H30O2.C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;4-3-,7-6-,10-9-,13-12-,16-15-;4-3-,7-6-,10-9-
InChIKey
QPEOIOLHJXXJFN-GNGJDXFDSA-N
IUPAC name
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
Full List of Drug(s) That Produce This DM By Metabolism
SPC-100270 DR1808 Phase 1 Psoriasis vulgaris

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