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CHEBI:225818 - Rufomycin NBZ7
| Formula | C55H79N9O12 |
| Net Charge | 0 |
| Average Mass | 1058.288 |
| Monoisotopic Mass | 1057.58482 |
| SMILES | C/C=C/C[C@@H]1NC(=O)[C@H](CC(C)C)N2C(=O)[C@H](C[C@@H](C)[C@H]2O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cn(C(C)(C)[C@H](O)CC)c3ccccc23)NC1=O |
| InChI | InChI=1S/C55H79N9O12/c1-13-15-19-37-47(67)59-39(28-35-29-62(55(9,10)46(66)14-2)40-20-17-16-18-36(35)40)53(73)60(11)42(23-30(3)4)49(69)58-38(26-34-21-22-45(65)41(27-34)64(75)76)48(68)56-33(8)52(72)61(12)44-25-32(7)51(71)63(54(44)74)43(24-31(5)6)50(70)57-37/h13,15-18,20-22,27,29-33,37-39,42-44,46,51,65-66,71H,14,19,23-26,28H2,1-12H3,(H,56,68)(H,57,70)(H,58,69)(H,59,67)/b15-13+/t32-,33+,37+,38+,39+,42+,43+,44+,46-,51-/m1/s1 |
| InChIKey | XBBQMRNPGSJBOA-DIOBEVESSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (32031795) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Rufomycin NBZ7 (CHEBI:225818) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| (2S,5S,8S,11S,14S,17S,20S,22R,23R)-5-[(E)-but-2-enyl]-23-hydroxy-8-[[1-[(3R)-3-hydroxy-2-methylpentan-2-yl]indol-3-yl]methyl]-14-[(4-hydroxy-3-nitrophenyl)methyl]-10,17,19,22-tetramethyl-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 |