EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H29N7O7 |
| Net Charge | 0 |
| Average Mass | 431.450 |
| Monoisotopic Mass | 431.21285 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChI | InChI=1S/C16H29N7O7/c17-8(3-6-12(25)26)13(27)22-9(4-5-11(18)24)14(28)23-10(15(29)30)2-1-7-21-16(19)20/h8-10H,1-7,17H2,(H2,18,24)(H,22,27)(H,23,28)(H,25,26)(H,29,30)(H4,19,20,21)/t8-,9-,10-/m0/s1 |
| InChIKey | GFLQTABMFBXRIY-GUBZILKMSA-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) |
| Glu-Gln-Arg (CHEBI:162841) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(2S)-5-amino-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16570466 | ChemSpider |