EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22N4O5 |
| Net Charge | 0 |
| Average Mass | 302.331 |
| Monoisotopic Mass | 302.15902 |
| SMILES | CC(C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
| InChI | InChI=1S/C12H22N4O5/c1-6(2)10(12(20)21)16-9(18)5-15-11(19)7(13)3-4-8(14)17/h6-7,10H,3-5,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t7-,10-/m0/s1 |
| InChIKey | ORYMMTRPKVTGSJ-XVKPBYJWSA-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-Gly-Val (CHEBI:162175) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9711553 | ChemSpider |