RefMet Compound Details

RefMet ID	RM0157180
MW structure	65148 (View MW Metabolite Database details)
RefMet name	2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose
Systematic name	N-[(2R,3S,4S,5S,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
SMILES	C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O)O1)NC(=O)C)O)NC(=O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	246.121573 (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	C10H18N2O5	View other entries in RefMet with this formula
InChI	InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9+,10+/m1/s1
InChIKey	NRXWTRNYICXMBF-UBUKNDCTSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Amino sugars
Pubchem CID	52940203
ChEBI ID	68645
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)