Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2381
Common Name:	2,3-dinor-11b-PGF2alpha
Systematic Name:	9S,11S,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid
RefMet Name:	2,3-Dinor-11beta-PGF2alpha
Synonyms:	2,3-dinor-11b-Prostaglandin F2alpha [PubChem Synonyms]
Exact Mass:	326.2093 (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:	C18H30O5
InChIKey:	IDKLJIUIJUVJNR-KSJYGFEGSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Prostaglandins [FA0301]
SMILES:	CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CC(=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:	5283032
LIPID MAPS ID:	LMFA03010011
HMDB ID:	HMDB0002277
KEGG ID:	C14794
Plant Metabolite Hub(Pmhub):	MS000235692

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