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POU-053 / 18:4 n-3 / c6,c9,c12,c15-18:4 |
Names: Methyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate; (6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid methyl ester; (Z,Z,Z,Z)-6,9,12,15-Octadecatetraenoic acid methyl ester; 6Z,9Z,12Z,15Z-Octadecatetraenoic acid methyl ester; cis-6, cis-9, cis-12, cis-15-Octadecatetraenoic acid methyl ester; Methyl Stearidonate; Stearidonic acid methyl ester
Formula: C19H30O2
Molar mass: 290.445 Da
Monoisotopic mass: 290.225 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC
InChI Key: BIRKCHKCDPCDEG-GJDCDIHCSA-N
InChI: 1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
Typical retention indexes:
- ECL on BPX70: 20.277
- ECL on Wax: 19.578
- ECL on DB225: 19.214
- ECL on 5% phenyl: 17.582
- ECL on SLB-IL61: 19.193
- ECL on SLB-IL82: 20.609
- ECL on SLB-IL100: 20.999
- KI on Wax: 2583
- KI on DB225: 2517
- KI on 5% phenyl: 2085
Names: (6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid; (Z,Z,Z,Z)-6,9,12,15-Octadecatetraenoic acid; 6Z,9Z,12Z,15Z-Octadecatetraenoic acid; cis-6, cis-9, cis-12, cis-15-Octadecatetraenoic acid; Stearidonic acid
Formula: C18H28O2
Molar mass: 276.418 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\CCCCC(O)=O
InChI Key: JIWBIWFOSCKQMA-LTKCOYKYSA-N
InChI: 1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
ChEBI code: CHEBI:32389
Lipid Maps code: LMFA01030357
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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. |