EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H33N9O6 |
| Net Charge | 0 |
| Average Mass | 459.508 |
| Monoisotopic Mass | 459.25538 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C17H33N9O6/c18-9(3-1-7-23-16(19)20)13(29)25-10(4-2-8-24-17(21)22)14(30)26-11(15(31)32)5-6-12(27)28/h9-11H,1-8,18H2,(H,25,29)(H,26,30)(H,27,28)(H,31,32)(H4,19,20,23)(H4,21,22,24)/t9-,10-,11-/m0/s1 |
| InChIKey | UXJCMQFPDWCHKX-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) |
| Arg-Arg-Glu (CHEBI:158733) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanedioic acid |
| Manual Xrefs | Databases |
|---|---|
| 8370787 | ChemSpider |