EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H19N5O5 |
| Net Charge | 0 |
| Average Mass | 313.314 |
| Monoisotopic Mass | 313.13862 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1cncn1)C(=O)O |
| InChI | InChI=1S/C12H19N5O5/c1-6(18)10(13)11(20)15-4-9(19)17-8(12(21)22)2-7-3-14-5-16-7/h3,5-6,8,10,18H,2,4,13H2,1H3,(H,14,16)(H,15,20)(H,17,19)(H,21,22)/t6-,8+,10+/m1/s1 |
| InChIKey | YZUWGFXVVZQJEI-PMVVWTBXSA-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) |
| Thr-Gly-His (CHEBI:163904) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid |