RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153668
RefMet name	Mevalonic acid
Alternative name	FA 5:0;3Me[R],3OH,5OH
Systematic name	3R-methyl-3,5-dihydroxy-pentanoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 6:0;O2	View other entries in RefMet with this sum composition
Exact mass	148.073560 (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	C6H12O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	1480 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
InChIKey	KJTLQQUUPVSXIM-ZCFIWIBFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@](CCO)(CC(=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 Mevalonic 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 Mevalonic acid
External Links
Pubchem CID	439230
LIPID MAPS	LMFA01050352
ChEBI ID	17710
KEGG ID	C00418
HMDB ID	HMDB0000227
EPA CompTox	DTXCID10209648
Spectral data for Mevalonic acid standards
NP-MRD ID(NMR)	View NMR 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 Mevalonic acid

Rxn ID	KEGG Reaction	Enzyme
R02082	(R)-Mevalonate + CoA + 2 NADP+ <=> (S)-3-Hydroxy-3-methylglutaryl-CoA + 2 NADPH + 2 H+	(R)-Mevalonate:NADP+ oxidoreductase (CoA acylating)
R02245	ATP + (R)-Mevalonate <=> ADP + (R)-5-Phosphomevalonate	ATP:(R)-mevalonate 5-phosphotransferase

Table of KEGG human pathways containing Mevalonic acid

Pathway ID	Human Pathway	# of reactions
hsa00900	Terpenoid backbone biosynthesis	2