RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0071898
RefMet name	TriHOME
Sum Composition	FA 18:1;O3	View other entries in RefMet with this sum composition
Exact mass	330.240625 (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	C18H34O5	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Octadecanoids
Sub Class	TriHOME
Distribution of TriHOME 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 TriHOME
External Links
Structural annotation level
Annotation level	3   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Abbrev	# of Studies	Refmet name(exact structures)	Systematic name
FA 18:1;O3	56	9,12,13-TriHOME	9S,12S,13S-trihydroxy-10E-octadecenoic acid
FA 18:1;O3	25	9,10,13-TriHOME(11)	9,10,13-trihydroxy-11-octadecenoic acid
FA 18:1;O3	5	9S,10S,11R-Trihydroxy-12Z-octadecenoic acid	9S,10S,11R-trihydroxy-12Z-octadecenoic acid
FA 18:1;O3	3	11,12,13-TriHOME	11,12,13-trihydroxy-9-octadecenoic acid