Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009031
PROPERTIES
| NPAID | NPA009031 |
|---|---|
| CLUSTER ID | 119 |
| NODE ID | 113 |
| NAME | JBIR-06 |
| FORMULA | C28H38N2O10 |
| MOLECULAR WEIGHT (Da) | 562.6160 |
| ACCURATE MASS (Da) | 562.2526 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. ML55 |
| InChIKey | DGUFUEHCXSEKMT-OMDNBMQFSA-N |
| InChI | InChI=1S/C28H38N2O10/c1-8-15(4)22-26(36)39-19(12-14(2)3)23(33)28(6,7)27(37)38-16(5)20(25(35)40-22)30-24(34)17-10-9-11-18(21(17)32)29-13-31/h9-11,13-16,19-20,22,32H,8,12H2,1-7H3,(H,29,31)(H,30,34)/t15-,16+,19-,20-,22-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)OC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ueda, Jun-ya; Nagai, Aya; Izumikawa, Miho; Chijiwa, Shuhei; Takagi, Motoki; Shin-ya, Kazuo A Novel Antimycin-like Compound, JBIR-06, from Streptomyces sp. ML55 Journal of Antibiotics 2008 61 (4) 241-244. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2008.35 | PMID | 18503204 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC(C)C1C(=O)OC(C(=O)C(C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)(C)C)CC(C)C | Ueda, Jun-ya; Nagai, Aya; Izumikawa, Miho; Chijiwa, Shuhei; Takagi, Motoki; Shin-ya, Kazuo A Novel Antimycin-like Compound, JBIR-06, from Streptomyces sp. ML55 Journal of Antibiotics 2008 61 (4) 241-244. DOI: 10.1038/ja.2008.35 PMID: 18503204 | ||
| 2 | CC[C@H](C)[C@@H]1OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)OC1=O | Hamada, Chie; Usuki, Yoshinosuke; Takeuchi, Daiki; Ogawa, Hikaru; Abe, Ryota; Satoh, Tetsuya Total Syntheses and Configuration Assignments of JBIR-06 and Related Depsipeptides. Organic Letters 2019 21 (4) 965-968. DOI: 10.1021/acs.orglett.8b03944 PMID: 30698439 | ||
