RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0020552
RefMet name	p-Hydroxyfelbamate
Systematic name	carbamic acid [3-carbamoyloxy-2-(4-hydroxyphenyl)propyl] ester
Synonyms	PubChem Synonyms
Exact mass	254.090273 (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	C11H14N2O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	71690 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C11H14N2O5/c12-10(15)17-5-8(6-18-11(13)16)7-1-3-9(14)4-2-7/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)
InChIKey	PXBZEVLDFAKFLV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(ccc1C(COC(=O)N)COC(=O)N)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Phenols
Sub Class	Other phenols
Distribution of p-Hydroxyfelbamate 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 p-Hydroxyfelbamate
External Links
Pubchem CID	9921310
ChEBI ID	80584
KEGG ID	C16584
HMDB ID	HMDB0060669
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 p-Hydroxyfelbamate

Rxn ID	KEGG Reaction	Enzyme
R08303	Felbamate + NADPH + H+ + Oxygen <=> p-Hydroxyfelbamate + NADP+ + H2O	Felbamate + NADPH + H+ + Oxygen <=> p-Hydroxyfelbamate + NADP+ + H2O

Table of KEGG human pathways containing p-Hydroxyfelbamate

Pathway ID	Human Pathway	# of reactions
hsa00982	Drug metabolism - cytochrome P450	1