EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H30N8O4 |
| Net Charge | 0 |
| Average Mass | 458.523 |
| Monoisotopic Mass | 458.23900 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O |
| InChI | InChI=1S/C21H30N8O4/c22-15(10-14-11-25-12-27-14)18(30)29-17(9-13-5-2-1-3-6-13)19(31)28-16(20(32)33)7-4-8-26-21(23)24/h1-3,5-6,11-12,15-17H,4,7-10,22H2,(H,25,27)(H,28,31)(H,29,30)(H,32,33)(H4,23,24,26)/t15-,16-,17-/m0/s1 |
| InChIKey | AYUOWUNWZGTNKB-ULQDDVLXSA-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-Phe-Arg (CHEBI:157849) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16571736 | ChemSpider |