EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H30N6O6S |
| Net Charge | 0 |
| Average Mass | 434.519 |
| Monoisotopic Mass | 434.19475 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C16H30N6O6S/c1-29-8-6-11(15(27)28)22-14(26)10(3-2-7-20-16(18)19)21-13(25)9(17)4-5-12(23)24/h9-11H,2-8,17H2,1H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
| InChIKey | KEBACWCLVOXFNC-DCAQKATOSA-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-Arg-Met (CHEBI:162714) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid |