RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200775
RefMet name	Gentamicin
Systematic name	(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5R)-3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
Synonyms	PubChem Synonyms
Exact mass	468.243146 (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	C18H36N4O10	View other entries in RefMet with this formula
Molecular descriptors
Molfile	110227 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H36N4O10/c1-22-9-7(23)4-29-17(11(9)25)31-15-5(20)2-6(21)16(14(15)28)32-18-13(27)12(26)10(24)8(3-19)30-18/h5-18,22-28H, 2-4,19-21H2,1H3/t5-,6+,7+,8-,9+,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
InChIKey	BDTQHFBWYNCGHN-CUYCKOLISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CN[C@H]1[C@H](CO[C@@H]([C@@H]1O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CN)O1)O)O)O)N)N)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Alcohols and polyols
Sub Class	Cyclitols
Distribution of Gentamicin 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 Gentamicin
External Links
Pubchem CID	15574861
ChEBI ID	17833
NPAtlas DB	NPA009026
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)