Metabolomics Structure Database

 
MW REGNO: 2591
Common Name:TXB2
Systematic Name:9S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid
RefMet Name:TXB2
Synonyms:Thromboxane B2 [PubChem Synonyms]
Exact Mass:
370.2355 (neutral)    Calculate m/z:
Formula:C20H34O6
InChIKey:XNRNNGPBEPRNAR-JQBLCGNGSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Thromboxanes [FA0303]
Massbank MS spectra:View MS spectra
SMILES:CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)[C@H](CC(O)O1)O)O
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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