Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2827
Common Name:	(+/-) 5-iPF2alpha-VI
Systematic Name:	5,9S,11R-trihydroxy-6E,14Z-prostadienoic acid-cyclo[8S,12R]
RefMet Name:	5-iPF2alpha-VI
Synonyms:	Isoprostane F2alpha-I; iPF2alpha-I; 5-iso-PGF2a VI [PubChem Synonyms]
Exact Mass:	354.2406 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C20H34O5
InChIKey:	RZCPXIZGLPAGEV-SUHLLOIRSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Isoprostanes [FA0311]
SMILES:	CCCCC/C=CC[C@@H]1[C@H](/C=C/C(CCCC(=O)O)O)[C@H](C[C@H]1O)O
Studies:	Available studies (via RefMet name)

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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