12-Epileukotriene B4

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

ID: Reference9883

Other Names: 12(S)-Leukotriene B4;
12-epi-LTB4;
12S-LTB4;
2-epi-LTB4;
(5S,6Z,8E,10E,12S,14Z)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoic acid ; more

Formula: C20H32O4

Class: Endogenous Metabolites

Spectral Data

12-Epileukotriene 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 2
No. of Spectra 1285
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2020 10:13:50 AM
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Identificators

InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1
InChI Key VNYSSYRCGWBHLG-CBBLYLIKSA-N
Canonical SMILES CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
CAS 83709733
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Other Names 12(S)-Leukotriene B4;
12-epi-LTB4;
12S-LTB4;
2-epi-LTB4;
(5S,6Z,8E,10E,12S,14Z)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoic acid;
[S-[R*,R*-(E,Z,E,Z)]]-5,12-Dihydroxy-6,8,10,14-eicosatetraenoate;
[S-[R*,R*-(E,Z,E,Z)]]-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid;
5(S),12(S)-Dihydroxyeicosatetraenoate;
5(S),12(S)-Dihydroxyeicosatetraenoic acid;
5S,12S-Dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid;
5S,12S-Dihydroxy-6Z,8E,10E,14Z-eicsatetraenoate

In Other Databases

ChEBI CHEBI:72795
ChEMBL CHEMBL1742496
ChemSpider 4446254
HMDb HMDB0005088
PubChem 5283130