13(S)-HOTrE

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Systematic / IUPAC Name: (9Z,11E,13S,15Z)-13-Hydroxy-9,11,15-octadecatrienoic acid

ID: Reference9864

Other Names: 13(S)-HOT;
(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid;
(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid;
(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate;
(9Z,11E,15Z)-13-Hydroxy-9,11,15-octadecatrienoic acid ; more

Formula: C18H30O3

Class: Endogenous Metabolites

Spectral Data

13(S)-HOTrE mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 464
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/12/2020 10:35:58 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1
InChI Key KLLGGGQNRTVBSU-FQSPHKRJSA-N
Canonical SMILES CCC=CCC(C=CC=CCCCCCCCC(=O)O)O
CAS 87984825
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Other Names 13(S)-HOT;
(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid;
(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid;
(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate;
(9Z,11E,15Z)-13-Hydroxy-9,11,15-octadecatrienoic acid;
13S-Hydroxy-9Z,11E,15Z-octadecatrienoic acid;
9,11,15-Octadecatrienoic acid, 13-hydroxy-, (9Z,11E,13S,15Z)-

In Other Databases

ChEBI CHEBI:80442
KEGG C16316
PubChem 16061072
ChemSpider 17220755