9(S)-HOTrE

enlarge

Systematic / IUPAC Name: (9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid

ID: Reference9863

Other Names: 9(S)-HOT;
9-OH-10,12,15-ODTA;
(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid;
(9S,10E,12Z,15Z)-9-Hydroxyoctadeca-10,12,15-trienoic acid;
(9S,10E,12Z,15Z)-9-Hydroxyoctadecatrienoic acid ; more

Formula: C18H30O3

Class: Endogenous Metabolites

Spectral Data

9(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 1
No. of Spectra 174
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/12/2020 10:32:57 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1
InChI Key RIGGEAZDTKMXSI-MEBVTJQTSA-N
Canonical SMILES CCC=CCC=CC=CC(CCCCCCCC(=O)O)O
CAS 89886420
Splash
Other Names 9(S)-HOT;
9-OH-10,12,15-ODTA;
(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid;
(9S,10E,12Z,15Z)-9-Hydroxyoctadeca-10,12,15-trienoic acid;
(9S,10E,12Z,15Z)-9-Hydroxyoctadecatrienoic acid;
10,12,15-Octadecatrienoic acid, 9-hydroxy-, (9S,10E,12Z,15Z)-;
10-12-15-Octadecatrienoic acid, 9-hydroxy-, (S-(E,Z,Z))-;
9-Hydroxy-10,12,15-octadecatrienoic acid;
9S-Hydroxy-10E,12Z,15Z-octadecatrienoic acid

In Other Databases

KEGG C16326
ChEBI CHEBI:80447
PubChem 6439873
ChemSpider 4944252
ChemIDPlus 089886420