RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0118166 | |
|---|---|---|
| RefMet name | Lumichrome | |
| Systematic name | 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 242.080376 (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 | C12H10N4O2 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 49948 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18) | |
| InChIKey | ZJTJUVIJVLLGSP-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | Cc1cc2c(cc1C)nc1c(c(=O)[nH]c(=O)[nH]1)n2
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Alloxazines and isoalloxazines | |
| Sub Class | Flavins | |
| Distribution of Lumichrome 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 Lumichrome | |
| External Links | ||
| Pubchem CID | 5326566 | |
| ChEBI ID | 17781 | |
| KEGG ID | C01727 | |
| HMDB ID | HMDB0254199 | |
| MetaCyc ID | CPD-605 | |
| Spectral data for Lumichrome standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
