EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H28N4O5S |
| Net Charge | 0 |
| Average Mass | 412.512 |
| Monoisotopic Mass | 412.17804 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O |
| InChI | InChI=1S/C18H28N4O5S/c19-8-2-1-3-13(20)16(24)21-14(9-11-4-6-12(23)7-5-11)17(25)22-15(10-28)18(26)27/h4-7,13-15,23,28H,1-3,8-10,19-20H2,(H,21,24)(H,22,25)(H,26,27)/t13-,14-,15-/m0/s1 |
| InChIKey | HONVOXINDBETTI-KKUMJFAQSA-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) |
| Lys-Tyr-Cys (CHEBI:160382) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulanylpropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8311921 | ChemSpider |