EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:66681 - martefragin A
| Formula | C20H25N3O3 |
| Net Charge | 0 |
| Average Mass | 355.438 |
| Monoisotopic Mass | 355.18959 |
| SMILES | CC[C@H](C)C[C@@H](c1nc(C(=O)O)c(-c2cnc3ccccc23)o1)N(C)C |
| InChI | InChI=1S/C20H25N3O3/c1-5-12(2)10-16(23(3)4)19-22-17(20(24)25)18(26-19)14-11-21-15-9-7-6-8-13(14)15/h6-9,11-12,16,21H,5,10H2,1-4H3,(H,24,25)/t12-,16-/m0/s1 |
| InChIKey | PBQNIVCBQWLBLF-LRDDRELGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Martensia fragilis (ncbitaxon:158715) | - | PubMed (9810689) |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| martefragin A (CHEBI:66681) has role antioxidant (CHEBI:22586) |
| martefragin A (CHEBI:66681) has role metabolite (CHEBI:25212) |
| martefragin A (CHEBI:66681) is a 1,3-oxazoles (CHEBI:46812) |
| martefragin A (CHEBI:66681) is a indole alkaloid (CHEBI:38958) |
| martefragin A (CHEBI:66681) is a monocarboxylic acid (CHEBI:25384) |
| martefragin A (CHEBI:66681) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 2-[(1S,3S)-1-(dimethylamino)-3-methylpentyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8119542 | Reaxys |
| Citations |
|---|