10-Nitrooleate

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Systematic / IUPAC Name: (9E)-10-Nitro-9-octadecenoic acid

ID: Reference6748

Other Names: (E)-10-Nitrooctadec-9-enoic acid;
(9E)-10-Nitrooctadec-9-enoic acid;
(9E)-10-Nitrooctadecenoic acid;
10-Nitro oleic acid;
10-Nitro-9E-octadecenoic acid

Formula: C18H33NO4

Class: Endogenous Metabolites

Spectral Data

10-Nitrooleate 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 ; Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 4
No. of Spectra 5741
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2020 7:27:03 AM
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Identificators

InChI InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+
InChI Key WRADPCFZZWXOTI-BMRADRMJSA-N
Canonical SMILES
CAS 875685464
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Other Names (E)-10-Nitrooctadec-9-enoic acid;
(9E)-10-Nitrooctadec-9-enoic acid;
(9E)-10-Nitrooctadecenoic acid;
10-Nitro oleic acid;
10-Nitro-9E-octadecenoic acid

In Other Databases

ChemSpider 21375709
PubChem 24836820
ChEBI CHEBI:86285
ChEMBL CHEMBL561371