EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H15N3O3 |
| Net Charge | 0 |
| Average Mass | 249.270 |
| Monoisotopic Mass | 249.11134 |
| SMILES | CC[C@@]1(O)C[C@@H](C(N)=O)N=C1c1ncccc1O |
| InChI | InChI=1S/C12H15N3O3/c1-2-12(18)6-7(11(13)17)15-10(12)9-8(16)4-3-5-14-9/h3-5,7,16,18H,2,6H2,1H3,(H2,13,17)/t7-,12+/m0/s1 |
| InChIKey | PUARYECATSVDEK-JVXZTZIISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Siderochelin C (CHEBI:222751) has functional parent α-amino acid (CHEBI:33704) |
| Siderochelin C (CHEBI:222751) is a organonitrogen compound (CHEBI:35352) |
| Siderochelin C (CHEBI:222751) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (2S,4R)-4-ethyl-4-hydroxy-5-(3-hydroxypyridin-2-yl)-2,3-dihydropyrrole-2-carboxamide |
| Manual Xrefs | Databases |
|---|---|
| 20129800 | ChemSpider |