RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136707
RefMet name	Glycerol-1-(5-hydroxydodecanoate)
Systematic name	2,3-dihydroxypropyl 5-hydroxydodecanoate
Synonyms	PubChem Synonyms
Exact mass	290.209325 (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	C15H30O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	48869 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C15H30O5/c1-2-3-4-5-6-8-13(17)9-7-10-15(19)20-12-14(18)11-16/h13-14,16-18H,2-12H2,1H3
InChIKey	KCEQGTJBAICOKH-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCC(CCCC(=O)OCC(CO)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Glycerolipids
Main Class	Monoradylglycerols
Sub Class	MAG
Distribution of Glycerol-1-(5-hydroxydodecanoate) 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 Glycerol-1-(5-hydroxydodecanoate)
External Links
Pubchem CID	175553
ChEBI ID	174087
KEGG ID	C01885
HMDB ID	HMDB0040168
Chemspider ID	152949
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 Glycerol-1-(5-hydroxydodecanoate)

Rxn ID	KEGG Reaction	Enzyme
R01351	1-Acylglycerol + H2O <=> Glycerol + Fatty acid	1-acylglycerol acylhydrolase
R02687	1,2-Diacyl-sn-glycerol + H2O <=> 1-Acylglycerol + Fatty acid	1,2-diacyl-sn-glycerol acylhydrolase
R02757	ATP + 1-Acylglycerol <=> ADP + 1-Acyl-sn-glycerol 3-phosphate	ATP:acylglycerol 3-phosphotransferase
R03755	Acyl-CoA + 1-Acylglycerol <=> CoA + 1,2-Diacyl-sn-glycerol	acyl-CoA:2-acylglycerol O-acyltransferase
R03756	2,3-Dehydroacyl-CoA + 1-Acylglycerol <=> CoA + 1,2-Diacyl-sn-glycerol	2,3-dehydroacyl-CoA:2-acylglycerol O-acyltransferase
R11527	1-Acyl-sn-glycerol 3-phosphate + H2O <=> 1-Acylglycerol + Orthophosphate	1-acyl-sn-glycerol 3-phosphate phosphohydrolase

Table of KEGG human pathways containing Glycerol-1-(5-hydroxydodecanoate)

Pathway ID	Human Pathway	# of reactions
hsa00561	Glycerolipid metabolism	5
hsa01100	Metabolic pathways	3