RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0132181
RefMet name	Psicosyllysine
Systematic name	N(6)-[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]-L-lysine
Synonyms	PubChem Synonyms
Exact mass	308.158351 (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	C12H24N2O7	View other entries in RefMet with this formula
Molecular descriptors
Molfile	61640 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	BFSYFTQDGRDJNV-CDEVMZEPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCNCC(=O)[C@@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H](C(=O)O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Psicosyllysine 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 Psicosyllysine
External Links
Pubchem CID	49859645
ChEBI ID	61425
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)