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CHEBI:222066 - Citrinadin D
| Formula | C33H48N4O6 |
| Net Charge | 0 |
| Average Mass | 596.769 |
| Monoisotopic Mass | 596.35739 |
| SMILES | CN[C@]12CN3[C@H](C[C@H](OC(=O)[C@@H](N)C(C)C)C[C@@H]3C)C[C@]1(O)C(C)(C)[C@]1(C2)C(=O)Nc2c(C(=O)[C@H]3OC3(C)C)cccc21 |
| InChI | InChI=1S/C33H48N4O6/c1-17(2)23(34)27(39)42-20-12-18(3)37-16-31(35-8)15-32(30(6,7)33(31,41)14-19(37)13-20)22-11-9-10-21(24(22)36-28(32)40)25(38)26-29(4,5)43-26/h9-11,17-20,23,26,35,41H,12-16,34H2,1-8H3,(H,36,40)/t18-,19+,20+,23-,26+,31+,32-,33-/m0/s1 |
| InChIKey | JBDQCKJFWOEAKF-HYFDBWGLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudoalteromonasspecies OT59 (ncbitaxon:1460272) | - | PubMed (25058318) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Citrinadin D (CHEBI:222066) has functional parent δ-amino acid (CHEBI:35931) |
| Citrinadin D (CHEBI:222066) is a organonitrogen compound (CHEBI:35352) |
| Citrinadin D (CHEBI:222066) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| [(3R,3'aR,6'S,8'R,9'aR,10'aS)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-10'a-hydroxy-1',1',6'-trimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-3,4,6,7,8,9,9a,10-octahydrocyclopenta[b]quinolizine]-8'-yl] (2S)-2-amino-3-methylbutanoate |
| Manual Xrefs | Databases |
|---|---|
| 78440294 | ChemSpider |