Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005724301 | Gold | 3 |
| CCMSLIB00012103570 | Gold | 4 |
| CCMSLIB00012103571 | Gold | 4 |
| CCMSLIB00009943367 | Gold | 4 |
| CCMSLIB00009943368 | Gold | 4 |
COMPOUND NPA004746
PROPERTIES
| NPAID | NPA004746 |
|---|---|
| CLUSTER ID | 2415 |
| NODE ID | 1899 |
| NAME | Bottromycin A2 |
| FORMULA | C42H62N8O7S |
| MOLECULAR WEIGHT (Da) | 823.0740 |
| ACCURATE MASS (Da) | 822.4462 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | bottropensis |
| InChIKey | KSIZLOPUXFSFNR-XZNJZDOZSA-N |
| InChI | InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)/t24-,25+,27-,30+,31+,32+,33-,34-/m1/s1 |
| SMILES | C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=NCC2=O)N[C@H](C(=O)N[C@@H]([C@@H](C)C3=CC=CC=C3)C(=O)N[C@H](CC(=O)OC)C4=NC=CS4)C(C)(C)C)C(C)(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nakamura, S; Yajima, T; Lin, Y; Umezawa, H Isolation and characterization of bottromycins A2, B2, C2 Journal of Antibiotics 1967 20 (1) 1. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.20.1 | PMID | 6072278 |
SYNTHESES
| CITATION 1 | Shimamura H; Gouda H; Nagai K; Hirose T; Ichioka M; Furuya Y; Kobayashi Y; Hirono S; Sunazuka T; Omura S Structure determination and total synthesis of bottromycin A2: a potent antibiotic against MRSA and VRE. Angewandte Chemie International Edition 2009 48 (5) 914-917. DOI: 10.1002/anie.200804138 PMID: 19115340 | ||
|---|---|---|---|
