RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0012500 | |
---|---|---|
RefMet name | Pro-Tyr | |
Systematic name | L-Prolyl-L-tyrosine | |
Synonyms | PubChem Synonyms | |
Exact mass | 278.126658 (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 | C14H18N2O4 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 78954 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20)/t11-, 12-/m0/s1 | |
InChIKey | OIDKVWTWGDWMHY-RYUDHWBXSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | C1C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Organic acids | |
Main Class | Amino acids and peptides | |
Sub Class | Dipeptides | |
Distribution of Pro-Tyr 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 Pro-Tyr | |
External Links | ||
Pubchem CID | 152264 | |
ChEBI ID | 74799 | |
HMDB ID | HMDB0029029 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |