RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0118081 | |
|---|---|---|
| RefMet name | Isoxanthopterin | |
| Systematic name | 2-amino-1,4,7,8-tetrahydropteridine-4,7-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 179.044325 (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 | C6H5N5O2 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 37376 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13) | |
| InChIKey | GLKCOBIIZKYKFN-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1c(nc2c(c(nc(N)n2)O)n1)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Pterins | |
| Sub Class | Pterins | |
| Distribution of Isoxanthopterin 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 Isoxanthopterin | |
| External Links | ||
| Pubchem CID | 135398700 | |
| ChEBI ID | 16713 | |
| KEGG ID | C03975 | |
| HMDB ID | HMDB0000704 | |
| Chemspider ID | 10277 | |
| MetaCyc ID | 2-AMINO-47-DIHYDROXYPTERIDINE | |
| EPA CompTox | DTXCID60220787 | |
| Spectral data for Isoxanthopterin standards | ||
| NP-MRD ID(NMR) | View NMR spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
