17(S)-HpDHA

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Systematic / IUPAC Name: (4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroperoxy-4,7,10,13,15,19-docosahexaenoic acid

ID: Reference9911

Other Names: 4,7,10,13,15,19-Docosahexaenoic acid, 17-hydroperoxy-, (4Z,7Z,10Z,13Z,15E,19Z)-;
17S-hydroperoxy-4E,7Z,10Z,13Z,15Z,19Z-docosahexaenoic acid;
17(S)-hydroperoxy Docosahexaenoic Acid;
17(S)-HpDoHE

Formula: C22H32O4

Class: Endogenous Metabolites

Spectral Data

17(S)-HpDHA 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
No. of Spectral Trees 1
No. of Spectra 521
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2020 9:00:55 AM
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Identificators

InChI InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
InChI Key BNHQALRBDJVUQB-VIIQGJSXSA-N
Canonical SMILES CCC=CCC(C=CC=CCC=CCC=CCC=CCCC(=O)O)OO
CAS 123673336
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Other Names 4,7,10,13,15,19-Docosahexaenoic acid, 17-hydroperoxy-, (4Z,7Z,10Z,13Z,15E,19Z)-;
17S-hydroperoxy-4E,7Z,10Z,13Z,15Z,19Z-docosahexaenoic acid;
17(S)-hydroperoxy Docosahexaenoic Acid;
17(S)-HpDoHE

In Other Databases

PubChem 88928253
ChemSpider 68028012