Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019285
PROPERTIES
| NPAID | NPA019285 |
|---|---|
| CLUSTER ID | 603 |
| NODE ID | 536 |
| NAME | Thiazomycin E1 |
| FORMULA | C50H55N13O16S5 |
| MOLECULAR WEIGHT (Da) | 1254.4000 |
| ACCURATE MASS (Da) | 1253.2493 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | fastidiosa |
| InChIKey | MVHBCLZSBYPNKG-ZBCGVCIPSA-N |
| InChI | InChI=1S/C50H55N13O16S5/c1-17(38(51)68)52-39(69)24-14-83-47(57-24)33-28(66)9-21-32(59-33)23-12-81-45(54-23)22(11-64)53-40(70)25-15-84-48(58-25)34(35(67)36(49(74)75)79-29-10-50(5,76)37(63(6)7)20(4)78-29)62-42(72)27-16-82-46(56-27)31(19(3)77-8)61-43(73)30(18(2)65)60-41(71)26-13-80-44(21)55-26/h9,12-16,18,20,22,29-30,34-37,64-67,76H,1,10-11H2,2-8H3,(H2,51,68)(H,52,69)(H,53,70)(H,60,71)(H,61,73)(H,62,72)(H,74,75)/t18-,20+,22+,29+,30+,34+,35+,36+,37-,50+/m1/s1 |
| SMILES | C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]([C@H]([C@H]2C3=NC(=CS3)C(=O)N[C@H](C4=NC(=CS4)C5=NC(=C(C=C5C6=NC(=CS6)C(=O)N[C@H](C(=O)NC(=C(C)OC)C7=NC(=CS7)C(=O)N2)[C@@H](C)O)O)C8=NC(=CS8)C(=O)NC(=C)C(=O)N)CO)O)C(=O)O)(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 |
