Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004612
PROPERTIES
| NPAID | NPA004612 |
|---|---|
| CLUSTER ID | 603 |
| NODE ID | 536 |
| NAME | Nocathiacin III |
| FORMULA | C51H41N13O17S5 |
| MOLECULAR WEIGHT (Da) | 1268.2980 |
| ACCURATE MASS (Da) | 1267.1347 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | sp. WW-12651 |
| InChIKey | PPYHMCZUBYBPFZ-XPEXILJUSA-N |
| InChI | InChI=1S/C51H41N13O17S5/c1-16(65)30-43(73)61-31(17(2)78-3)47-56-25(14-84-47)41(71)62-34-37-36(67)51(76)80-8-18-5-4-6-27-29(18)20(9-79-37)35(64(27)77)50(75)81-10-21(53-39(69)23-13-86-49(34)58-23)46-54-22(11-83-46)32-19(45-55-24(12-82-45)40(70)60-30)7-28(66)33(59-32)48-57-26(15-85-48)42(72)63-44(74)38(52)68/h4-7,11-16,21,30,34,36-37,65-67,77H,8-10H2,1-3H3,(H2,52,68)(H,53,69)(H,60,70)(H,61,73)(H,62,71)(H,63,72,74)/b31-17+/t16-,21+,30+,34+,36+,37+/m1/s1 |
| SMILES | C[C@H]([C@H]1C(=O)N/C(=C(\C)/OC)/C2=NC(=CS2)C(=O)N[C@H]3[C@H]4[C@@H](C(=O)OCC5=C6C(=C(C(=O)OC[C@@H](C7=NC(=CS7)C8=NC(=C(C=C8C9=NC(=CS9)C(=O)N1)O)C1=NC(=CS1)C(=O)NC(=O)C(=O)N)NC(=O)C1=CSC3=N1)N(C6=CC=C5)O)CO4)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Wenying; Leet, John E.; Ax, Helen A.; Gustavson, Donald R.; Brown, Daniel M.; Turner, Laura; Brown, Kimberly; Clark, Junius; Yang, Hyekyung; Fung-Tomc, Joan; Lam, Kin S. Nocathiacins, new thiazolyl peptide antibiotics from Nocardia sp. I. Taxonomy, fermentation and biological activities Journal of Antibiotics 2003 56 (3) 226-231. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.56.226 | PMID | 12760678 |
