EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H31N7O6 |
| Net Charge | 0 |
| Average Mass | 417.467 |
| Monoisotopic Mass | 417.23358 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
| InChI | InChI=1S/C16H31N7O6/c17-6-2-1-4-9(18)13(26)23-11(8-12(24)25)14(27)22-10(15(28)29)5-3-7-21-16(19)20/h9-11H,1-8,17-18H2,(H,22,27)(H,23,26)(H,24,25)(H,28,29)(H4,19,20,21)/t9-,10-,11-/m0/s1 |
| InChIKey | FLCMXEFCTLXBTL-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) |
| Lys-Asp-Arg (CHEBI:159787) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 16572697 | ChemSpider |