RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042980
RefMet name	Saccharopine
Systematic name	(2S)-2-{[(5S)-5-amino-5-carboxypentyl]amino}pentanedioic acid
Synonyms	PubChem Synonyms
Exact mass	276.132138 (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	C11H20N2O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37177 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKey	ZDGJAHTZVHVLOT-YUMQZZPRSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCN[C@@H](CCC(=O)O)C(=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 Saccharopine 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 Saccharopine
External Links
Pubchem CID	160556
ChEBI ID	16927
KEGG ID	C00449
HMDB ID	HMDB0000279
Chemspider ID	141086
MetaCyc ID	SACCHAROPINE
Spectral data for Saccharopine standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Saccharopine

Rxn ID	KEGG Reaction	Enzyme
R00715	N6-(L-1,3-Dicarboxypropyl)-L-lysine + NAD+ + H2O <=> L-Lysine + 2-Oxoglutarate + NADH + H+	N6-(L-1,3-Dicarboxypropyl)-L-lysine:NAD+ oxidoreductase (L-lysine-forming)
R00716	N6-(L-1,3-Dicarboxypropyl)-L-lysine + NADP+ + H2O <=> L-Lysine + 2-Oxoglutarate + NADPH + H+	N6-(L-1,3-Dicarboxypropyl)-L-lysine:NADP+ oxidoreductase (L-lysine-forming)
R02313	N6-(L-1,3-Dicarboxypropyl)-L-lysine + NAD+ + H2O <=> L-Glutamate + L-2-Aminoadipate 6-semialdehyde + NADH + H+	N6-(L-1,3-Dicarboxypropyl)-L-lysine:NAD+ oxidoreductase
R02315	N6-(L-1,3-Dicarboxypropyl)-L-lysine + NADP+ + H2O <=> L-Glutamate + L-2-Aminoadipate 6-semialdehyde + NADPH + H+	N6-(L-1,3-Dicarboxypropyl)-L-lysine:NADP+ oxidoreductase

Table of KEGG human pathways containing Saccharopine

Pathway ID	Human Pathway	# of reactions
hsa00310	Lysine degradation	2
hsa01100	Metabolic pathways	2