Docosahexaenoic acid
Docosahexaenoic acid Structure
Systematic / IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoic acid
ID: Reference6801
Other Names:
δ4,7,10,13,16,19-Docosahexaenoic acid;
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid;
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid;
(All-Z)-4,7,10,13,16,19-docosahexaenoic acid;
cis-4,7,10,13,16,19-Docosahexaenoic acid
; more
Formula: C22H32O2
Class: Endogenous Metabolites
Spectral Data
Docosahexaenoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS ; Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 5 |
| No. of Spectra | 6143 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/18/2020 9:26:10 AM |
Identificators
| InChI | InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- |
| InChI Key | MBMBGCFOFBJSGT-KUBAVDMBSA-N |
| Canonical SMILES | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O |
| CAS | 6217545 |
| Splash | |
| Other Names |
δ4,7,10,13,16,19-Docosahexaenoic acid; (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid; (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid; (All-Z)-4,7,10,13,16,19-docosahexaenoic acid; cis-4,7,10,13,16,19-Docosahexaenoic acid; cis-4,7,10,13,16,19-Docosahexanoate; 4,7,10,13,16,19-Docosahexaenoate; 4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-; 4,7,10,13,16,19-Docosahexaenoic acid, (all cis-)-; 4,7,10,13,16,19-Docosahexaenoic acid, (all-Z)-; 4-cis-,7-cis-,10-cis-,13-cis-,16-cis-,19-cis-Docosahexaenoic acid; 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid; All-cis-4,7,10,13,16,19-docosahexaenoic acid; All-cis-DHA ; All-cis-docosa-4,7,10,13,16,19-hexaenoic acid; All-Z-docosahexaenoate; All-Z-docosahexaenoic acid; Cervonate; Cervonic acid; Doconexent; Doconexentum; Docosa-4,7,10,13,16,19-hexaenoic acid; Docosahexaenoate; Docosahexaenoic acid (all-Z); Doxonexent; cis-4,7,10,13,16,19-Docosahexanoic acid; DHA |
In Other Databases
| ChemSpider | 393183 |
| PubChem | 445580 |
| ChemIDPlus | 006217545 |
| Wikipedia | Docosahexaenoic_acid |
| LipidsMAPs | LMFA01030185 |
| ChEBI | CHEBI:28125 |
| HMDb | HMDB02183 |
| KEGG | C06429 |
| ChEMBL | CHEMBL367149 |