EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:199939 - CI-4
| Formula | C11H19N5O2 |
| Net Charge | 0 |
| Average Mass | 253.306 |
| Monoisotopic Mass | 253.15387 |
| SMILES | NC(N)=NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O |
| InChI | InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1 |
| InChIKey | ZRJHYOXNWCMGMW-YUMQZZPRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudomonas (ncbitaxon:286) | - | PubMed (8609091) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CI-4 (CHEBI:199939) has functional parent α-amino acid (CHEBI:33704) |
| CI-4 (CHEBI:199939) is a organonitrogen compound (CHEBI:35352) |
| CI-4 (CHEBI:199939) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 2-[3-[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]propyl]guanidine |