SpectraBase Spectrum ID |
4GG7PeibtJb |
Name |
4(E),7(Z),10(Z),13(Z),16(Z),19(Z)-Docosahexaenoate |
CAS Registry Number |
875288-77-0 |
Classification |
Fatty esters; Fatty acid methyl esters |
Copyright |
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C23H34O2 |
InChI |
InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19+ |
InChIKey |
VCDLWFYODNTQOT-UFDDNHIKSA-N |
Number of Peaks |
268 |
RI2 |
2438 |
RI4 |
2660 |
RI5 |
2132 |
SMILES |
C(CC\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC |
SPLASH |
splash10-002f-9600000000-06d8a649fc3eadf149db |
Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
Synonyms |
4,7,10,13,16,19-Docosahexaenoic acid, methyl ester, (4E,7Z,10Z,13Z,16Z,19Z)-
Me. C22:6n3 |
Wiley ID |
LM_LIPIDS2016_226 |