Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008009
PROPERTIES
| NPAID | NPA008009 |
|---|---|
| CLUSTER ID | 603 |
| NODE ID | 536 |
| NAME | Thiazomycin D |
| FORMULA | C59H55N13O19S5 |
| MOLECULAR WEIGHT (Da) | 1410.4960 |
| ACCURATE MASS (Da) | 1409.2341 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | fastidiosa |
| InChIKey | UZZVXLOCAWZSCJ-FSWKDJDBSA-N |
| 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 |
| SMILES | C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@@H]3[C@H]4C5=NC(=CS5)C(=O)N[C@@H](COC(=O)C6=C(CO3)C7=C(COC2=O)C=CC=C7N6O)C8=NC(=CS8)C9=NC(=C(C=C9C1=NC(=CS1)C(=O)N[C@H](C(=O)NC(=C(C)OC)C1=NC(=CS1)C(=O)N4)[C@@H](C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)N)(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Chaowei; Herath, Kithsiri; Jayasuriya, Hiranthi; Ondeyka, John G.; Zink, Deborah L.; Occi, James; Birdsall, Gwyneth; Venugopal, Jayashree; Ushio, Misti; Burgess, Bruce; Masurekar, Prakash; Barrett, John F.; Singh, Sheo B. Thiazomycins, thiazolyl peptide antibiotics from Amycolatopsis fastidiosa Journal of Natural Products 2009 72 (5) 841-847. | ||
|---|---|---|---|
| DOI | 10.1021/np800783b | PMID | 19334707 |
