EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H30N8O5 |
| Net Charge | 0 |
| Average Mass | 474.522 |
| Monoisotopic Mass | 474.23392 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C21H30N8O5/c22-15(8-12-3-5-14(30)6-4-12)18(31)29-17(9-13-10-25-11-27-13)19(32)28-16(20(33)34)2-1-7-26-21(23)24/h3-6,10-11,15-17,30H,1-2,7-9,22H2,(H,25,27)(H,28,32)(H,29,31)(H,33,34)(H4,23,24,26)/t15-,16-,17-/m0/s1 |
| InChIKey | ADECJAKCRKPSOR-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) |
| Tyr-His-Arg (CHEBI:165092) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16575497 | ChemSpider |