EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:204465 - Hydroxypseudomonic acid-C amide
| Formula | C30H50N2O9 |
| Net Charge | 0 |
| Average Mass | 582.735 |
| Monoisotopic Mass | 582.35163 |
| SMILES | C/C(=C\C(=O)OCCCCCCCC(=O)NC1CCCNC1=O)C(O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C30H50N2O9/c1-19(21(3)33)11-9-12-22-18-41-29(28(38)27(22)37)26(36)20(2)17-25(35)40-16-8-6-4-5-7-14-24(34)32-23-13-10-15-31-30(23)39/h9,11,17,19,21-23,26-29,33,36-38H,4-8,10,12-16,18H2,1-3H3,(H,31,39)(H,32,34)/b11-9+,20-17+/t19-,21+,22+,23?,26?,27-,28-,29+/m1/s1 |
| InChIKey | BJKYLYDPTXLFIC-IIJHPWTMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alteromonasspecies (ncbitaxon:232) | - | DOI (10.1007/bf01948016) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hydroxypseudomonic acid-C amide (CHEBI:204465) is a N-acyl-amino acid (CHEBI:51569) |
| IUPAC Name |
|---|
| [8-oxo-8-[(2-oxopiperidin-3-yl)amino]octyl] (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| 4578088 | ChemSpider |