RefMet Compound Details

MW structure	1480 (View MW Metabolite Database details)
RefMet name	Mevalonic acid
Alternative name	FA 5:0;3Me[R],3OH,5OH
Systematic name	3R-methyl-3,5-dihydroxy-pentanoic acid
SMILES	C[C@@](CCO)(CC(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Pubchem CID	439230
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
R02245	ATP + (R)-Mevalonate <=> ADP + (R)-5-Phosphomevalonate	ATP:(R)-mevalonate 5-phosphotransferase
R02082	(R)-Mevalonate + CoA + 2 NADP+ <=> (S)-3-Hydroxy-3-methylglutaryl-CoA + 2 NADPH + 2 H+	(R)-Mevalonate:NADP+ oxidoreductase (CoA acylating)

Table of KEGG human pathways containing Mevalonic acid

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