Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2486
Common Name:	13,14-dihydro-PGE1
Systematic Name:	9-oxo-11R,15S-dihydroxy-prostanoic acid
RefMet Name:	13,14-Dihydro-PGE1
Synonyms:	13,14-dihydro-Prostaglandin E1 [PubChem Synonyms]
Exact Mass:	356.2563 (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:	C20H36O5
InChIKey:	DPOINJQWXDTOSF-DODZYUBVSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Prostaglandins [FA0301]
SMILES:	CCCCC[C@@H](CC[C@@H]1[C@@H](CCCCCCC(=O)O)C(=O)C[C@H]1O)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	161273
LIPID MAPS ID:	LMFA03010144
CHEBI ID:	89310
HMDB ID:	HMDB0002689
Chemspider ID:	141668
Plant Metabolite Hub(Pmhub):	MS000241811

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