RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153757
RefMet name	PGF2alpha
Systematic name	9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:3;O3	View other entries in RefMet with this sum composition
Exact mass	354.240625 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C20H34O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2372 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2, 1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey	PXGPLTODNUVGFL-YNNPMVKQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](C[C@H]1O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Eicosanoids
Sub Class	Prostaglandins
Distribution of PGF2alpha in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting PGF2alpha
External Links
Pubchem CID	5280363
LIPID MAPS	LMFA03010002
ChEBI ID	15553
KEGG ID	C00639
HMDB ID	HMDB0302209
Spectral data for PGF2alpha standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving PGF2alpha

Rxn ID	KEGG Reaction	Enzyme
R02264	Prostaglandin H2 + NADPH + H+ <=> Prostaglandin F2alpha + NADP+	Prostaglandin H2 + NADPH + H+ <=> Prostaglandin F2alpha + NADP+
R02581	Prostaglandin F2alpha + NADP+ <=> Prostaglandin E2 + NADPH + H+	(5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP+ 9-oxidoreductase
R02683	Prostaglandin F2alpha + NAD+ <=> 15-Keto-prostaglandin F2alpha + NADH + H+	(5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate:NAD+ 15-oxidoreductase
R09506	Thioredoxin + Prostaglandin H2 <=> Thioredoxin disulfide + Prostaglandin F2alpha	thioredoxin:(5Z,9alpha,11alpha,13E,15S)-9,11-epidioxy-15-hydroxy-prosta-5,13-dienoate oxidoreductase

Table of KEGG human pathways containing PGF2alpha

Pathway ID	Human Pathway	# of reactions
hsa00590	Arachidonic acid metabolism	3
hsa01100	Metabolic pathways	1