Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022547
PROPERTIES
| NPAID | NPA022547 |
|---|---|
| CLUSTER ID | 4865 |
| NODE ID | 3279 |
| NAME | Neothioviridamide |
| FORMULA | C56H85N14O10S6+ |
| MOLECULAR WEIGHT (Da) | 1306.7860 |
| ACCURATE MASS (Da) | 1305.4892 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | FRMXVRMEEBFTBC-HANIZAFPSA-O |
| InChI | InChI=1S/C56H84N14O10S6/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)57-21-23-86-35(11)42(52(80)65-40)67-47(75)31(7)60-54(82)33(9)62-53(81)32(8)59-45(73)30(6)61-55(83)37(20-22-85-14)64-56(84)41(28(3)4)66-48(76)34(10)71/h15-19,21,23,25-33,35,37-38,40-44,72H,20,22,24H2,1-14H3,(H11-,57,58,59,60,61,62,63,64,65,66,67,68,73,74,75,76,77,78,79,80,81,82,83,84)/p+1/b23-21-/t29?,30-,31?,32?,33?,35?,37?,38-,40?,41?,42?,43?,44?/m0/s1 |
| SMILES | CC1C(C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N/C=C\S1)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@H](C)NC(=S)C(CCSC)NC(=S)C(C(C)C)NC(=O)C(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kawahara, Teppei; Izumikawa, Miho; Kozone, Ikuko; Hashimoto, Junko; Kagaya, Noritaka; Koiwai, Hanae; Komatsu, Mamoru; Fujie, Manabu; Sato, Noriyuki; Ikeda, Haruo; Shin-Ya, Kazuo Neothioviridamide, a Polythioamide Compound Produced by Heterologous Expression of a Streptomyces sp. Cryptic RiPP Biosynthetic Gene Cluster Journal of Natural Products 2018 81 (2) 264-269. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00607 | PMID | 29381067 |
