RefMet Compound Details

Created with Raphaƫl 2.1.0NHNNNNH2OOHNH2OOH
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0051095
RefMet namePentosidine
Systematic name(2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid
SynonymsPubChem Synonyms
Exact mass378.201553 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC17H26N6O4View other entries in RefMet with this formula
Molecular descriptors
Molfile38415 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyAYEKKSTZQYEZPU-RYUDHWBXSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(CCn1cccc2c1nc(NCCC[C@@H](C(=O)O)N)n2)C[C@@H](C(=O)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of Pentosidine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Pentosidine
External Links
Pubchem CID119593
ChEBI ID59951
HMDB IDHMDB0003933
Chemspider ID106787
EPA CompToxDTXCID00214680
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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