EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H29N9O5 |
| Net Charge | 0 |
| Average Mass | 439.477 |
| Monoisotopic Mass | 439.22917 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChI | InChI=1S/C17H29N9O5/c18-10(3-4-13(19)27)14(28)26-12(6-9-7-22-8-24-9)15(29)25-11(16(30)31)2-1-5-23-17(20)21/h7-8,10-12H,1-6,18H2,(H2,19,27)(H,22,24)(H,25,29)(H,26,28)(H,30,31)(H4,20,21,23)/t10-,11-,12-/m0/s1 |
| InChIKey | DWDBJWAXPXXYLP-SRVKXCTJSA-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) |
| Gln-His-Arg (CHEBI:162180) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16570889 | ChemSpider |