RefMet Compound Details

RefMet ID	RM0138860
MW structure	29134 (View MW Metabolite Database details)
RefMet name	Dolichol-19
Systematic name	Alpha-dihydrononadecaprenol
SMILES	CC(=CCC/C(=C/CC/C(=C/CC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C( =CCC/C(=CCC/C(=CCC[C@H](C)CCO)/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)
Exact mass	1313.215615 (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	C95H156O	View other entries in RefMet with this formula
InChI	InChI=1S/C95H156O/c1-77(2)39-21-40-78(3)41-22-42-79(4)43-23-44-80(5)45-24-46-81(6)47-25-48-82(7)49-26-50-83(8)51-27-52-84(9)53-28- 54-85(10)55-29-56-86(11)57-30-58-87(12)59-31-60-88(13)61-32-62-89(14)63-33-64-90(15)65-34-66-91(16)67-35-68-92(17)69-36-70-93(18)7 1-37-72-94(19)73-38-74-95(20)75-76-96/h39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,95-96H,21-38,40,42,44,46,48,50,52,54, 56,58,60,62,64,66,68,70,72,74-76H2,1-20H3/b78-41+,79-43+,80-45-,81-47-,82-49-,83-51-,84-53-,85-55-,86-57-,87-59-,88-61-,89-63-,90- 65-,91-67-,92-69-,93-71-,94-73-/t95-/m0/s1
InChIKey	OTRSDHXDHPEZNS-HMARKXMOSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Prenol Lipids
Main Class	Polyprenols
Sub Class	Dolichols
Pubchem CID	5283552
ChEBI ID	166695
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)