Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029607
PROPERTIES
| NPAID | NPA029607 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Rufomycin NBZ3 |
| FORMULA | C54H77N9O11 |
| MOLECULAR WEIGHT (Da) | 1028.2620 |
| ACCURATE MASS (Da) | 1027.5743 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | atratus Strain MJM3502 |
| InChIKey | UICGAVRXXGVGKH-ZAQFJHMCSA-N |
| InChI | InChI=1S/C54H77N9O11/c1-13-15-19-38-47(66)59-41(28-36-29-62(54(9,10)14-2)42-20-17-16-18-37(36)42)53(72)61(12)44(24-32(5)6)50(69)58-40(26-35-21-22-46(65)43(27-35)63(73)74)48(67)55-34(8)52(71)60(11)45(25-33(7)30-64)51(70)57-39(23-31(3)4)49(68)56-38/h13-18,20-22,27,29,31-34,38-41,44-45,64-65H,2,19,23-26,28,30H2,1,3-12H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b15-13+/t33-,34-,38-,39-,40-,41-,44-,45-/m0/s1 |
| SMILES | C=CC(C)(C)N1C=C(C[C@@H]2NC(=O)[C@H](C/C=C/C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@H](C)CO)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC3=CC([N+](=O)[O-])=C(O)C=C3)NC(=O)[C@H](CC(C)C)N(C)C2=O)C2=CC=CC=C21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Abad-Zapatero, Cele; Bisson, Jonathan; Chen, Shao-Nong; Cheng, Jinhua; Cho, Sang-Hyun; Franzblau, Scott G.; Jin, Yingyu; Klein, Larry L.; Lee, Hanki; Lee, Hyun; McAlpine, James B.; Pauli, Guido F.; Santarsiero, Bernard D.; Shetye, Gauri; Suh, Joo-Won; Wolf, Nina M.; Yu, Yang; Zhou, Bin Antimycobacterial Rufomycin Analogues from Streptomyces atratus Strain MJM3502 Journal of Natural Products 2020 83 (3) 657-667. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b01095 | PMID | 32031795 |
