EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H22N4O7 |
| Net Charge | 0 |
| Average Mass | 358.351 |
| Monoisotopic Mass | 358.14885 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O |
| InChI | InChI=1S/C14H22N4O7/c15-10(19)6-9(14(24)25)18-13(23)8(3-4-11(20)21)17-12(22)7-2-1-5-16-7/h7-9,16H,1-6H2,(H2,15,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 |
| InChIKey | KIPIKSXPPLABPN-CIUDSAMLSA-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) |
| Pro-Glu-Asn (CHEBI:162263) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-5-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8467351 | ChemSpider |