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CHEBI:206096 - Thiazomycin B
| Formula | C52H43N13O15S5 |
| Net Charge | 0 |
| Average Mass | 1250.327 |
| Monoisotopic Mass | 1249.16051 |
| 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)c4nc5cccc6c5c4CO[C@@H]2[C@H](O)C(=O)OC6)c2nc-3cs2)n1)C(N)=O |
| InChI | InChI=1S/C52H43N13O15S5/c1-17(40(53)69)54-41(70)26-14-84-49(60-26)36-30(67)8-21-34(62-36)25-12-82-47(57-25)24-11-80-51(75)35-22-10-78-39(38(68)52(76)79-9-20-6-5-7-23(55-35)31(20)22)37(50-61-27(15-85-50)42(71)56-24)65-44(73)29-16-83-48(59-29)33(19(3)77-4)64-45(74)32(18(2)66)63-43(72)28-13-81-46(21)58-28/h5-8,12-16,18,24,32,37-39,55,66-68H,1,9-11H2,2-4H3,(H2,53,69)(H,54,70)(H,56,71)(H,63,72)(H,64,74)(H,65,73)/t18-,24+,32+,37+,38+,39+/m1/s1 |
| InChIKey | OOHKUNIJVRTPMS-ZQRHLILJSA-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 B (CHEBI:206096) is a indolyl carboxylic acid (CHEBI:46867) |
| IUPAC Name |
|---|
| N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1S,18S,28S,29S,30S)-9,30-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 |
|---|---|
| 78440335 | ChemSpider |