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CHEBI:204836 - Thiazomycin D
| Formula | C59H55N13O19S5 |
| Net Charge | 0 |
| Average Mass | 1410.496 |
| Monoisotopic Mass | 1409.23407 |
| SMILES | C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@@H](COC(=O)c4c5c6c(cccc6n4O)COC(=O)[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@H](C)O4)[C@H]2OC5)c2nc-3cs2)n1)C(N)=O |
| InChI | InChI=1S/C59H55N13O19S5/c1-20(46(60)76)61-47(77)29-17-95-55(66-29)40-34(74)10-25-39(68-40)28-15-93-53(63-28)27-14-89-57(82)42-26-13-87-43(44(91-35-11-59(5,84)45(75)23(4)90-35)58(83)88-12-24-8-7-9-33(36(24)26)72(42)85)41(56-67-30(18-96-56)48(78)62-27)71-50(80)32-19-94-54(65-32)38(22(3)86-6)70-51(81)37(21(2)73)69-49(79)31-16-92-52(25)64-31/h7-10,15-19,21,23,27,35,37,41,43-45,73-75,84-85H,1,11-14H2,2-6H3,(H2,60,76)(H,61,77)(H,62,78)(H,69,79)(H,70,81)(H,71,80)/t21-,23+,27+,35+,37+,41+,43+,44+,45-,59+/m1/s1 |
| InChIKey | UZZVXLOCAWZSCJ-FSWKDJDBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Actinokineospora fastidiosa (ncbitaxon:1816) | - | PubMed (19334707) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thiazomycin D (CHEBI:204836) is a indolyl carboxylic acid (CHEBI:46867) |
| IUPAC Name |
|---|
| N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1S,18S,28S,29S,30S)-30-[(2S,4S,5R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide |
| Manual Xrefs | Databases |
|---|---|
| 78440200 | ChemSpider |