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CHEBI:225823 - Rufomycin NBZ8
| Formula | C54H75N9O13 |
| Net Charge | 0 |
| Average Mass | 1058.244 |
| Monoisotopic Mass | 1057.54843 |
| SMILES | C/C=C/C[C@@H]1NC(=O)[C@H](CC(C)C)N2C(=O)[C@H](C[C@](C)(O)[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]3CO3)c3ccccc23)NC1=O |
| InChI | InChI=1S/C54H75N9O13/c1-12-13-17-35-45(65)58-37(25-33-27-61(53(7,8)44-28-76-44)38-18-15-14-16-34(33)38)50(70)59(10)40(21-29(2)3)47(67)57-36(23-32-19-20-43(64)39(24-32)63(74)75)46(66)55-31(6)49(69)60(11)42-26-54(9,73)52(72)62(51(42)71)41(22-30(4)5)48(68)56-35/h12-16,18-20,24,27,29-31,35-37,40-42,44,52,64,72-73H,17,21-23,25-26,28H2,1-11H3,(H,55,66)(H,56,68)(H,57,67)(H,58,65)/b13-12+/t31-,35-,36-,37-,40-,41-,42-,44+,52+,54-/m0/s1 |
| InChIKey | LQUGKKZRMQHZBT-QSUUQULHSA-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 NBZ8 (CHEBI:225823) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| (2S,5S,8S,11S,14S,17S,20S,22S,23R)-5-[(E)-but-2-enyl]-22,23-dihydroxy-14-[(4-hydroxy-3-nitrophenyl)methyl]-10,17,19,22-tetramethyl-2,11-bis(2-methylpropyl)-8-[[1-[2-[(2S)-oxiran-2-yl]propan-2-yl]indol-3-yl]methyl]-1,4,7,10,13,16,19-heptazabicyclo[18.3.1]tetracosane-3,6,9,12,15,18,24-heptone |