RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0051095 | |
---|---|---|
RefMet name | Pentosidine | |
Systematic name | (2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid | |
Synonyms | PubChem Synonyms | |
Exact mass | 378.201553 (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 |
Formula | C17H26N6O4 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 38415 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | AYEKKSTZQYEZPU-RYUDHWBXSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | C(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 Class | Organic acids | |
Main Class | Amino acids and peptides | |
Sub Class | Amino acids | |
Distribution of Pentosidine 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 Pentosidine | |
External Links | ||
Pubchem CID | 119593 | |
ChEBI ID | 59951 | |
HMDB ID | HMDB0003933 | |
Chemspider ID | 106787 | |
EPA CompTox | DTXCID00214680 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |