Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2481
Common Name:	Tetranor-PGFM
Systematic Name:	9S,11R-dihydroxy-15-oxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
RefMet Name:	Tetranor-PGFM
Synonyms:	Tetranor-Prostaglandin FM [PubChem Synonyms]
Exact Mass:	330.1679 (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:	C16H26O7
InChIKey:	IGRHJCFWWOQYQE-SYQHCUMBSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Prostaglandins [FA0301]
SMILES:	C(CCC(=O)O)CC(=O)CC[C@@H]1[C@@H](CCC(=O)O)[C@H](C[C@H]1O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3246853
LIPID MAPS ID:	LMFA03010139
CHEBI ID:	73989
HMDB ID:	HMDB0258925
Plant Metabolite Hub(Pmhub):	MS000130632

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