RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153670
RefMet name	Acetohydroxybutyric acid
Alternative name	FA 6:1;O2
Systematic name	2S-ethyl-2-hydroxy-3-oxobutanoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 6:1;O2	View other entries in RefMet with this sum composition
Exact mass	146.057910 (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	C6H10O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	1500 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKey	VUQLHQFKACOHNZ-LURJTMIESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC[C@](C(=O)C)(C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Distribution of Acetohydroxybutyric acid 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 Acetohydroxybutyric acid
External Links
Pubchem CID	440875
LIPID MAPS	LMFA01050383
ChEBI ID	27681
KEGG ID	C06006
HMDB ID	HMDB0006900
Chemspider ID	389708
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)