RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153167
RefMet name	Hypusine
Systematic name	(2S)-2-amino-6-{[(2S)-4-amino-2-hydroxybutyl]amino}hexanoic acid
Synonyms	PubChem Synonyms
Exact mass	233.173942 (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	C10H23N3O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	41143 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1
InChIKey	BZUIJMCJNWUGKQ-IUCAKERBSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Distribution of Hypusine 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 Hypusine
External Links
Pubchem CID	65396
LIPID MAPS	LMFA01050514
ChEBI ID	21858
HMDB ID	HMDB0011140
Chemspider ID	58862
MetaCyc ID	CPD-9974
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)