RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135440
RefMet name	Dolichol-20
Systematic name	alpha-dihydroeicosaprenol
Synonyms	PubChem Synonyms
Exact mass	1381.278215 (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	C100H164O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	29137 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C100H164O/c1-81(2)41-22-42-82(3)43-23-44-83(4)45-24-46-84(5)47-25-48-85(6)49-26-50-86(7)51-27-52-87(8)53-28-54-88(9)55-29 -56-89(10)57-30-58-90(11)59-31-60-91(12)61-32-62-92(13)63-33-64-93(14)65-34-66-94(15)67-35-68-95(16)69-36-70-96(17)71-37-72-97(18) 73-38-74-98(19)75-39-76-99(20)77-40-78-100(21)79-80-101/h41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,100-101H,22-40,4 2,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78-80H2,1-21H3/b82-43+,83-45+,84-47-,85-49-,86-51-,87-53-,88-55-,89-57-,90-59 -,91-61-,92-63-,93-65-,94-67-,95-69-,96-71-,97-73-,98-75-,99-77-/t100-/m0/s1
InChIKey	KEVPZUBEAUSPNJ-YETSSXBSSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC[C@H](C)CCO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Polyprenols
Sub Class	Dolichols
Distribution of Dolichol-20 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 Dolichol-20
External Links
Pubchem CID	5283555
LIPID MAPS	LMPR03070004
ChEBI ID	88766
KEGG ID	C00381
HMDB ID	HMDB0005176
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 Dolichol-20

Rxn ID	KEGG Reaction	Enzyme
R01003	Dolichyl phosphate + H2O <=> Dolichol + Orthophosphate	dolichyl-phosphate phosphohydrolase
R01018	CTP + Dolichol <=> CDP + Dolichyl phosphate	CTP:dolichol O-phosphotransferase
R12299	Dolichol + NADP+ <=> Polyprenol + NADPH + H+	ditrans,polycis-dolichol:NADP+ 2,3-oxidoreductase

Table of KEGG human pathways containing Dolichol-20

Pathway ID	Human Pathway	# of reactions
hsa00510	N-Glycan biosynthesis	2
hsa01100	Metabolic pathways	1