RefMet Compound Details

MW structure	155457 (View MW Metabolite Database details)
RefMet name	Menaquinone
Systematic name	2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-naphthalene-1,4-dione
SMILES	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C)C(=O)c2ccccc2C1=O)/C)/C)/C)/C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	308.177630 (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	C21H24O2	View other entries in RefMet with this formula
InChI	InChI=1S/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+
InChIKey	PTWSIIUEOFZCHW-NTCAYCPXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Prenol Lipids
Main Class	Quinones and hydroquinones
Sub Class	Vitamin K
Pubchem CID	5280374
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Menaquinone

Rxn ID	KEGG Reaction	Enzyme
R02964	Menaquinone + H+ + NADH <=> Menaquinol + NAD+	NADH:menaquinone oxidoreductase
R09992	2,3-Epoxymenaquinone + Dithiothreitol <=> Menaquinone + Oxidized dithiothreitol + H2O	menaquinone:oxidized-dithiothreitol oxidoreductase

Table of KEGG human pathways containing Menaquinone

Pathway ID	Human Pathway	# of reactions
hsa00130	Ubiquinone and other terpenoid-quinone biosynthesis	2