5(S)-HpEPE

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Systematic / IUPAC Name: (6E,8Z,11Z,14Z,17Z)-5-Hydroperoxyicosa-6,8,11,14,17-pentaenoic acid

ID: Reference9896

Other Names: 5S-hydroperoxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

5(S)-HpEPE 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 217
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/26/2020 10:33:57 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+
InChI Key NKXYOIJDQPQELO-FCWZHQICSA-N
Canonical SMILES CCC=CCC=CCC=CCC=CC=CC(CCCC(=O)O)OO
CAS 143292982
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Other Names 5S-hydroperoxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid

In Other Databases

PubChem 5283194