Lovaza , CAS No.861006-80-6

CAS: 861006-80-6 Cat. No.: L671048 Molecular Weight: 687

Synonyms

Lovaza | DOCONEXENT (DHA ETHYL ESTER) | 4,7,10,13,16,19-Docosahexaenoic acid, ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)-, mixt. with (5Z,8Z,11Z,14Z,17Z)-ethyl 5,8,11,14,17-eicosapentaenoate | Lotriga | CHEMBL1200711 | Coromega | ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-d

Storage

Room temperature

Specifications

Synonyms

Lovaza | DOCONEXENT (DHA ETHYL ESTER) | 4, 7, 10, 13, 16, 19-Docosahexaenoic acid, ethyl ester, (4Z, 7Z, 10Z, 13Z, 16Z, 19Z)-, mixt. with (5Z, 8Z, 11Z, 14Z, 17Z)-ethyl 5, 8, 11, 14, 17-eicosapentaenoate | Lotriga | CHEMBL1200711 | Coromega | ethyl (4Z, 7Z, 10Z, 13Z, 16Z, 19Z)-d

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC.CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC
• IUPAC Name: ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
• InChIKey: DTMGIJFHGGCSLO-FIAQIACWSA-N
• INCHI: 1S/C24H36O2.C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3;5-6,8-9,11-12,14-15,17-18H,3-
• Isomeric SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC
• Molecular Weight: 687
• Reaxy-Rn: 24865969
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24865969&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y