Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012614
PROPERTIES
| NPAID | NPA012614 |
|---|---|
| CLUSTER ID | 829 |
| NODE ID | 141 |
| NAME | Plusbacin A3 |
| FORMULA | C50H83N11O20 |
| MOLECULAR WEIGHT (Da) | 1158.2710 |
| ACCURATE MASS (Da) | 1157.5816 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. |
| InChIKey | HFPVTZNYHFSJMC-RDOOFJRMSA-N |
| InChI | InChI=1S/C50H83N11O20/c1-24(2)14-11-9-7-5-6-8-10-12-15-27-22-32(66)57-33(26(4)63)41(70)54-25(3)45(74)60-20-17-30(64)36(60)43(72)55-28(16-13-19-53-50(51)52)40(69)58-34(38(67)47(76)77)42(71)56-29(23-62)46(75)61-21-18-31(65)37(61)44(73)59-35(49(80)81-27)39(68)48(78)79/h24-31,33-39,62-65,67-68H,5-23H2,1-4H3,(H,54,70)(H,55,72)(H,56,71)(H,57,66)(H,58,69)(H,59,73)(H,76,77)(H,78,79)(H4,51,52,53)/t25-,26-,27?,28+,29-,30-,31-,33-,34-,35+,36+,37+,38-,39+/m1/s1 |
| SMILES | CC(C)CCCCCCCCCCC1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N2CC[C@@H](O)[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@@H](O)C(=O)O)C(=O)N[C@H](CO)C(=O)N2CC[C@@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)C(=O)O)C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shoji, J; Hinoo, H; Katayama, T; Nakagawa, Y; Ikenishi, Y; Iwatani, K; Yoshida, T Structures of new peptide antibiotics, plusbacins A1-A4 and B1-B4. Journal of Antibiotics 1992 45 (6) 824-831. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.824 | PMID | 1500346 |
SYNTHESES
| CITATION 1 | Wohlrab A; Lamer R; VanNieuwenhze MS Total synthesis of plusbacin A3: a depsipeptide antibiotic active against vancomycin-resistant bacteria. Journal of the American Chemical Society 2007 129 (14) 4175-7. DOI: 10.1021/ja068455x PMID: 17371023 | ||
|---|---|---|---|
| CITATION 2 | Katsuyama A; Paudel A; Panthee S; Hamamoto H; Kawakami T; Hojo H; Yakushiji F; Ichikawa S Total Synthesis and Antibacterial Investigation of Plusbacin A Organic Letters 2017 19 (14) 3771-3774. DOI: 10.1021/acs.orglett.7b01629 PMID: 28696114 | ||
