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CHEBI:226350 - Ilamycin P
| Formula | C54H75N9O12 |
| Net Charge | 0 |
| Average Mass | 1042.245 |
| Monoisotopic Mass | 1041.55352 |
| SMILES | C=CC(C)(C)n1cc(C[C@@H]2NC(=O)[C@H](CC=CC)NC(=O)[C@H](CC(C)C)N3C(=O)[C@H](C[C@@H](CO)[C@H]3O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(O)c([N+](=O)[O-])c3)NC(=O)[C@H](CC(C)C)N(C)C2=O)c2ccccc21 |
| InChI | InChI=1S/C54H75N9O12/c1-12-14-18-37-46(66)58-39(26-34-28-61(54(8,9)13-2)40-19-16-15-17-36(34)40)52(72)59(10)42(22-30(3)4)48(68)57-38(24-33-20-21-45(65)41(25-33)63(74)75)47(67)55-32(7)50(70)60(11)44-27-35(29-64)51(71)62(53(44)73)43(23-31(5)6)49(69)56-37/h12-17,19-21,25,28,30-32,35,37-39,42-44,51,64-65,71H,2,18,22-24,26-27,29H2,1,3-11H3,(H,55,67)(H,56,69)(H,57,68)(H,58,66)/t32-,35-,37-,38-,39-,42-,43-,44-,51+/m0/s1 |
| InChIKey | XCEXJQKODOJTQJ-VZGIUAKWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (32324401) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ilamycin P (CHEBI:226350) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| (2S,5S,8S,11S,14S,17S,20S,22S,23R)-5-but-2-enyl-23-hydroxy-22-(hydroxymethyl)-14-[(4-hydroxy-3-nitrophenyl)methyl]-10,17,19-trimethyl-8-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-2,11-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[18.3.1]tetracosane-3,6,9,12,15,18,24-heptone |