8(S),15(S)-DiHETE

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Systematic / IUPAC Name: (5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxy-5,9,11,13-icosatetraenoic acid

ID: Reference9842

Other Names: 8(S),15(S)-DiHETE;
8S,15S-DiHETE;
(5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxyeicosatetraenoic acid;
(5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxyicosa-5,9,11,13-tetraenoic acid;
(5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxyicosatetraenoic acid ; more

Formula: C20H32O4

Class: Endogenous Metabolites

Spectral Data

8(S),15(S)-DiHETE 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 295
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/23/2020 8:46:01 AM
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Identificators

InChI InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
InChI Key NNPWRKSGORGTIM-HCCKYKKOSA-N
Canonical SMILES CCCCCC(C=CC=CC=CC(CC=CCCCC(=O)O)O)O
CAS 80234657
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Other Names 8(S),15(S)-DiHETE;
8S,15S-DiHETE;
(5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxyeicosatetraenoic acid;
(5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxyicosa-5,9,11,13-tetraenoic acid;
(5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxyicosatetraenoic acid;
(8S,15S)-Dihydroxy-(5Z,9E,11Z,13E)-eicosatetraenoic acid;
(8S,15S)-Dihydroxy-(5Z,9E,11Z,13E)-icosatetraenoic acid;
8S,15S-Dihydroxy-5Z,9E,11Z,13E-eicosatetraenoic acid

In Other Databases

ChEMBL CHEMBL3183681
PubChem 5283183
ChemSpider 4446305
ChEBI CHEBI:136485