EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H18N6O5 |
| Net Charge | 0 |
| Average Mass | 326.313 |
| Monoisotopic Mass | 326.13387 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)Cc1cncn1)C(=O)NCC(=O)O |
| InChI | InChI=1S/C12H18N6O5/c13-7(1-6-3-15-5-17-6)11(22)18-8(2-9(14)19)12(23)16-4-10(20)21/h3,5,7-8H,1-2,4,13H2,(H2,14,19)(H,15,17)(H,16,23)(H,18,22)(H,20,21)/t7-,8-/m0/s1 |
| InChIKey | NOQPTNXSGNPJNS-YUMQZZPRSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| His-Asn-Gly (CHEBI:164282) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| 2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]acetic acid |