Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013128
PROPERTIES
| NPAID | NPA013128 |
|---|---|
| CLUSTER ID | 4848 |
| NODE ID | 3270 |
| NAME | Thioholgamide B |
| FORMULA | C56H85N14O11S6+ |
| MOLECULAR WEIGHT (Da) | 1322.7850 |
| ACCURATE MASS (Da) | 1321.4841 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | malaysiense strain DSM100712 |
| InChIKey | ZKVMUPABRRWKON-UHFFFAOYSA-O |
| InChI | InChI=1S/C56H84N14O11S6/c1-27(2)40-51(79)58-29(5)46(74)63-38(24-36-18-16-15-17-19-36)49(77)68-43(44(72)39-25-69(12)26-70(39)13)50(78)57-21-22-86-35(11)42(52(80)65-40)67-47(75)31(7)60-54(83)33(9)62-53(82)32(8)59-45(73)30(6)61-55(84)37(20-23-87(14)81)64-56(85)41(28(3)4)66-48(76)34(10)71/h15-19,21-22,25-33,35,37-38,40-44,72H,20,23-24H2,1-14H3,(H11-,57,58,59,60,61,62,63,64,65,66,67,68,73,74,75,76,77,78,79,80,82,83,84,85)/p+1 |
| SMILES | CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC=CS1)C(C2=C[N+](=CN2C)C)O)CC3=CC=CC=C3)C)C(C)C)NC(=O)C(C)NC(=S)C(C)NC(=S)C(C)NC(=O)C(C)NC(=S)C(CCS(=O)C)NC(=S)C(C(C)C)NC(=O)C(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kjaerulff L; Sikandar A; Zaburannyi N; Adam S; Herrmann J; Koehnke J; Müller R Thioholgamides: Thioamide-Containing Cytotoxic RiPP Natural Products ACS Chemical Biology 2017 12 (11) 2837-2841. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.7b00676 | PMID | 28981254 |
