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POU-054 / 20:4 n-3 / c8,c11,c14,c17-20:4

Names: Methyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate;  (8Z,11Z,14Z,17Z)-Icosa-8,11,14,17-tetraenoic acid methyl ester;  (Z,Z,Z,Z)-8,11,14,17-Icosatetraenoic acid methyl ester;  8Z,11Z,14Z,17Z-Icosatetraenoic acid methyl ester;  cis-8, cis-11, cis-14, cis-17-Icosatetraenoic acid methyl ester;  Methyl eicosa-8,11,14,17-tetraenoate;  (8Z,11Z,14Z,17Z)-Eicosa-8,11,14,17-tetraenoic acid methyl ester;  (Z,Z,Z,Z)-8,11,14,17-Eicosatetraenoic acid methyl ester;  8Z,11Z,14Z,17Z-Eicosatetraenoic acid methyl ester;  cis-8, cis-11, cis-14, cis-17-Eicosatetraenoic acid methyl ester;  Methyl omega-3-arachidonate;  Methyl ω-3-arachidonate;  omega-3-Arachidonic acid methyl ester;  ω-3-Arachidonic acid methyl ester

Formula: C21H34O2

Molar mass: 318.498 Da

Monoisotopic mass: 318.256 Da

SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC

InChI Key: OHQGIWOBGITZPC-GJDCDIHCSA-N

InChI: 1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-

Typical retention indexes:
- ECL on BPX70: 22.302
- ECL on Wax: 21.555
- ECL on DB225: 21.246
- ECL on 5% phenyl: 19.554
- ECL on SLB-IL82: 22.732
- ECL on SLB-IL100: 23.146
- KI on Wax: 2787
- KI on DB225: 2729
- KI on 5% phenyl: 2284

Non-derivatized:

Names: (8Z,11Z,14Z,17Z)-Icosa-8,11,14,17-tetraenoic acid;  (Z,Z,Z,Z)-8,11,14,17-Icosatetraenoic acid;  8Z,11Z,14Z,17Z-Icosatetraenoic acid;  cis-8, cis-11, cis-14, cis-17-Icosatetraenoic acid;  (8Z,11Z,14Z,17Z)-Eicosa-8,11,14,17-tetraenoic acid;  (Z,Z,Z,Z)-8,11,14,17-Eicosatetraenoic acid;  8Z,11Z,14Z,17Z-Eicosatetraenoic acid;  cis-8, cis-11, cis-14, cis-17-Eicosatetraenoic acid;  omega-3-Arachidonic acid;  ω-3-Arachidonic acid

Formula: C20H32O2

Molar mass: 304.472 Da

SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\CCCCCCC(O)=O

InChI Key: HQPCSDADVLFHHO-LTKCOYKYSA-N

InChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-

Lipid Maps code: LMFA01030818



Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen.
Molecular structures are created in Open Babel.