RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0003545 | |
---|---|---|
RefMet name | Met-Asp-Asn | |
Systematic name | L-Methionyl-L-aspartyl-L-asparagine | |
Synonyms | PubChem Synonyms | |
Exact mass | 378.120923 (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 | C13H22N4O7S | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 83918 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C13H22N4O7S/c1-25-3-2-6(14)11(21)16-7(5-10(19)20)12(22)17-8(13(23)24)4-9(15)18/h6-8H,2-5,14H2,1H3,(H2,15,18)(H,16,21)(H,1 7,22)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 | |
InChIKey | ZMYHJISLFYTQGK-FXQIFTODSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)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 | Tripeptides | |
Distribution of Met-Asp-Asn 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 Met-Asp-Asn | |
External Links | ||
Pubchem CID | 145456872 | |
ChEBI ID | 160570 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |