Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2371
Common Name:	6-keto-PGF1alpha
Systematic Name:	6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid
RefMet Name:	6-Keto-PGF1alpha
Synonyms:	6-keto-Prostaglandin F1alpha; 6-oxo-prostaglandin F1alpha; 6-Oxo-PGF1alpha [PubChem Synonyms]
Exact Mass:	370.2355 (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:	C20H34O6
InChIKey:	KFGOFTHODYBSGM-ZUNNJUQCSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Prostaglandins [FA0301]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCC[C@@H](/C=C/[C@@H]1[C@@H](CC(=O)CCCCC(=O)O)[C@H](C[C@H]1O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5280888
LIPID MAPS ID:	LMFA03010001
CHEBI ID:	28158
HMDB ID:	HMDB0002886
KEGG ID:	C05961
Chemspider ID:	4444411
METLIN ID:	6782
Plant Metabolite Hub(Pmhub):	MS000003077

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