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CHEBI:213469 - Aeruginosin NOL1
| Formula | C26H40N6O6 |
| Net Charge | 0 |
| Average Mass | 532.642 |
| Monoisotopic Mass | 532.30093 |
| SMILES | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)NC(CO)CCCN=C(N)N)C[C@@H]2CCC(O)C[C@@H]21 |
| InChI | InChI=1S/C26H40N6O6/c1-15(34)30-21(11-16-4-7-19(35)8-5-16)25(38)32-22-13-20(36)9-6-17(22)12-23(32)24(37)31-18(14-33)3-2-10-29-26(27)28/h4-5,7-8,17-18,20-23,33,35-36H,2-3,6,9-14H2,1H3,(H,30,34)(H,31,37)(H4,27,28,29)/t17-,18?,20?,21-,22-,23-/m0/s1 |
| InChIKey | KOYXPKZSNNFPER-CUTKURBCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nodulariaspeciesmigena AV1 (ncbitaxon:284707) | - | PubMed (24040002) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aeruginosin NOL1 (CHEBI:213469) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| (2S,3aS,7aS)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide |