Docosatrienoic acid

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Systematic / IUPAC Name: (13Z,16Z,19Z)-Docosa-13,16,19-trienoic acid

ID: Reference6879

Other Names: (13Z,16Z,19Z) Docosatrienoic acid;
cis-13,16,19-Docosatrienoicacid;
13,16,19-Docosatrienoicacid, (13Z,16Z,19Z)-;
13Z,16Z,19Z-Docosatrienoic acid;
All-cis-13,16,19 docosatrienoic acid

Formula: C22H38O2

Class: Endogenous Metabolites

Spectral Data

Docosatrienoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS ; Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 4
No. of Spectra 2169
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/6/2020 11:23:48 AM
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Identificators

InChI InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-
InChI Key WBBQTNCISCKUMU-PDBXOOCHSA-N
Canonical SMILES CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O
CAS 28845865
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Other Names (13Z,16Z,19Z) Docosatrienoic acid;
cis-13,16,19-Docosatrienoicacid;
13,16,19-Docosatrienoicacid, (13Z,16Z,19Z)-;
13Z,16Z,19Z-Docosatrienoic acid;
All-cis-13,16,19 docosatrienoic acid;
DTrE

In Other Databases

LipidsMAPs LMFA01030408
ChEBI CHEBI:77807
ChemSpider 4471982
PubChem 5312557
HMDb HMDB02823
ChEMBL CHEMBL1514851