RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0130840 | |
---|---|---|
RefMet name | Asn-Trp | |
Systematic name | L-Asparaginyl-L-tryptophan | |
Synonyms | PubChem Synonyms | |
Exact mass | 318.132806 (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 | C15H18N4O4 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 78713 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C15H18N4O4/c16-10(6-13(17)20)14(21)19-12(15(22)23)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21 )(H,22,23)/t10-,12-/m0/s1 | |
InChIKey | RGGVDKVXLBOLNS-JQWIXIFHSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | c1ccc2c(c1)c(C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N)c[nH]2
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 Asn-Trp 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 Asn-Trp | |
External Links | ||
Pubchem CID | 46850046 | |
ChEBI ID | 141425 | |
HMDB ID | HMDB0028742 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |