EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:216634 - Andrimid
| Formula | C27H33N3O5 |
| Net Charge | 0 |
| Average Mass | 479.577 |
| Monoisotopic Mass | 479.24202 |
| SMILES | C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@H](C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C)C(C)C)c1ccccc1 |
| InChI | InChI=1S/C27H33N3O5/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-24(17(2)3)25(33)23-18(4)26(34)30-27(23)35/h5-15,17-18,20,23-24H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20-,23+,24-/m0/s1 |
| InChIKey | OHDXGZAYYBMHCY-QSUIEZAASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Enterobacterspecies (ncbitaxon:42895) | - | DOI (10.1021/ja00248a055) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Andrimid (CHEBI:216634) has functional parent β-amino acid (CHEBI:33706) |
| Andrimid (CHEBI:216634) is a organonitrogen compound (CHEBI:35352) |
| Andrimid (CHEBI:216634) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide |
| Manual Xrefs | Databases |
|---|---|
| 552562 | ChemSpider |