Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009311
PROPERTIES
| NPAID | NPA009311 |
|---|---|
| CLUSTER ID | 603 |
| NODE ID | 536 |
| NAME | Thiazomycin C |
| FORMULA | C58H57N13O16S5 |
| MOLECULAR WEIGHT (Da) | 1352.5040 |
| ACCURATE MASS (Da) | 1351.2650 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | fastidiosa |
| InChIKey | HRIFYBRRXQXAKA-TVFHQIITSA-N |
| InChI | InChI=1S/C58H57N13O16S5/c1-21(72)37-50(78)69-38(22(2)82-7)53-65-33(20-91-53)49(77)70-42-43-44(87-35-12-58(4,81)45(71(5)6)23(3)86-35)57(80)84-13-24-9-8-10-27-36(24)26(14-83-43)40(60-27)56(79)85-15-28(61-47(75)31-19-92-55(42)66-31)52-62-29(16-89-52)39-25(51-64-32(18-88-51)48(76)68-37)11-34(73)41(67-39)54-63-30(17-90-54)46(59)74/h8-11,16-21,23,28,35,37,42-45,60,72-73,81H,12-15H2,1-7H3,(H2,59,74)(H,61,75)(H,68,76)(H,69,78)(H,70,77)/t21-,23+,28+,35+,37+,42+,43+,44+,45-,58+/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=C7N6)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)N)(C)O)N(C)C |
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 |
