EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H30N6O4S |
| Net Charge | 0 |
| Average Mass | 402.521 |
| Monoisotopic Mass | 402.20492 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)O |
| InChI | InChI=1S/C16H30N6O4S/c1-27-9-6-11(14(24)22-8-3-5-12(22)15(25)26)21-13(23)10(17)4-2-7-20-16(18)19/h10-12H,2-9,17H2,1H3,(H,21,23)(H,25,26)(H4,18,19,20)/t10-,11-,12+/m0/s1 |
| InChIKey | LCBSSOCDWUTQQV-SDDRHHMPSA-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) |
| Arg-Met-Pro (CHEBI:159186) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2R)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulanylbutanoyl]pyrrolidine-2-carboxylic acid |