Leukotriene C4

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Systematic / IUPAC Name: γ-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxy-6,8,10,13-nonadecatetraen-5-yl]cysteinylglycine

ID: Reference9924

Other Names: Leukotriene C4;
Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-γ-glutamyl-L-cysteinyl)-, (R-(R*,S*-(E,E,Z,Z)))-;
5S-hydroxy-6R-(S-glutathionyl)-7E,9E,11Z,14Z-eicosatetraenoic acid

Formula: C30H47N3O9S

Class: Endogenous Metabolites

Spectral Data

Leukotriene C4 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 89
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/11/2020 11:43:54 AM
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Identificators

InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22?,23?,24-,25+/m0/s1
InChI Key GWNVDXQDILPJIG-SWOVEEFNSA-N
Canonical SMILES CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
CAS 72025606
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Other Names Leukotriene C4;
Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-γ-glutamyl-L-cysteinyl)-, (R-(R*,S*-(E,E,Z,Z)))-;
5S-hydroxy-6R-(S-glutathionyl)-7E,9E,11Z,14Z-eicosatetraenoic acid

In Other Databases

PubChem 5283121
ChemSpider 4446245
ChemIDPlus 072025606