12-Oxo leukotriene B4

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Systematic / IUPAC Name: (5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxo-6,8,10,14-icosatetraenoic acid

ID: Reference9913

Other Names: 12-Dehydro-leukotriene B4;
12-Keto-leukotriene B4;
12-Keto-LTB4;
12-Oxo-LTB4;
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoeicosa-6,8,10,14-tetraenoic acid ; more

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

12-Oxo leukotriene B4 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 180
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 9/11/2020 11:09:26 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
InChI Key SJVWVCVZWMJXOK-NOJHDUNKSA-N
Canonical SMILES CCCCCC=CCC(=O)C=CC=CC=CC(CCCC(=O)O)O
CAS 136696101
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Other Names 12-Dehydro-leukotriene B4;
12-Keto-leukotriene B4;
12-Keto-LTB4;
12-Oxo-LTB4;
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoeicosa-6,8,10,14-tetraenoic acid;
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoicosa-6,8,10,14-tetraenoate;
(5S,6Z,8E,10E,14Z)-5-Hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid;
5(S)-Hydroxy-12-oxo-6(Z),8(E),10(E),14(Z)-eicosatetraenoic acid;
5-Hydroxy-12-oxo-δ5,8,11,14-eicosapolyenoate;
5-Hydroxy-12-oxo-δ5,8,11,14-eicosapolyenoic acid;
5S-Hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoate;
5S-Hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid

In Other Databases

PubChem 5280876
HMDb HMDB0004234
KEGG C05949
ChemSpider 4444399
ChEBI CHEBI:27814