EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H35N9O4S |
| Net Charge | 0 |
| Average Mass | 461.593 |
| Monoisotopic Mass | 461.25327 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChI | InChI=1S/C17H35N9O4S/c1-31-9-6-10(18)13(27)25-11(4-2-7-23-16(19)20)14(28)26-12(15(29)30)5-3-8-24-17(21)22/h10-12H,2-9,18H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H4,19,20,23)(H4,21,22,24)/t10-,11-,12-/m0/s1 |
| InChIKey | JQEBITVYKUCBMC-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) |
| Met-Arg-Arg (CHEBI:160490) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16573032 | ChemSpider |