EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H23N3O4 |
| Net Charge | 0 |
| Average Mass | 273.333 |
| Monoisotopic Mass | 273.16886 |
| SMILES | C[C@H](CC=O)[C@@H](N)C(=O)NCCCC[C@H](N)C(=O)O |
| InChI | InChI=1S/C12H23N3O4/c1-8(5-7-16)10(14)11(17)15-6-3-2-4-9(13)12(18)19/h7-10H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t8-,9+,10-/m1/s1 |
| InChIKey | OCTWUEBQDSGHFM-KXUCPTDWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptococcus mutans (ncbitaxon:1309) | biofilm (BTO:0002690) | MetaboLights (MTBLS3020) | Strain: Streptococcus mutans UA159 [NCBI:txid210007] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine (CHEBI:176931) is a amino acid amide (CHEBI:22475) |
| IUPAC Name |
|---|
| (2S)-2-amino-6-[[(2R,3R)-2-amino-3-methyl-5-oxopentanoyl]amino]hexanoic acid |