Details of the Drug

General Information of Drug (ID: DMBWY8V)

• Drug Name: Omega-6-FA
• Synonyms: Fatty Acids, Omega-6; Omega-6 Fatty Acids; Omega-6 Polyunsaturates; N-6 Fatty Acids; SCHEMBL17080398
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 584.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 28
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 4
• ADMET Property: Metabolism: The drug is metabolized via the liver [1]
• Chemical Identifiers:
  Formula: C38H64O4
  IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid
  Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
  InChI: ZCDMRPMKAQLWAO-PZLFCYFRSA-N
  InChIKey: 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-
• Cross-matching ID:
  PubChem CID: 56842208
  INTEDE ID: DR1195

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	DE492CE	PGH2_HUMAN	Substrate	[2]
Arachidonate 5-lipoxygenase (ALOX5)	DE87OZS	LOX5_HUMAN	Substrate	[2]
Fatty acid desaturase 1 (FADS1)	DE05S8C	FADS1_HUMAN	Substrate	[2]
Fatty acid desaturase 2 (FADS2)	DEDI4B8	FADS2_HUMAN	Substrate	[2]

References

• [1] Daskalakis M, Blagitko-Dorfs N, Hackanson B: Decitabine. Recent Results Cancer Res. 2010;184:131-57. doi: 10.1007/978-3-642-01222-8_10.
• [2] Health implications of high dietary omega-6 polyunsaturated Fatty acids. J Nutr Metab. 2012;2012:539426.