Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017475
PROPERTIES
| NPAID | NPA017475 |
|---|---|
| CLUSTER ID | 5867 |
| NODE ID | 4124 |
| NAME | Antalid |
| FORMULA | C28H37N3O5S |
| MOLECULAR WEIGHT (Da) | 527.6870 |
| ACCURATE MASS (Da) | 527.2454 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Polyangium |
| ORIGIN SPECIES | sp. |
| InChIKey | LMWDPSXUGSTACD-NUVVKISZSA-N |
| InChI | InChI=1S/C28H37N3O5S/c1-6-20(32)14-23-17(4)12-18(5)25(33)31-24(16(2)3)27-30-22(15-37-27)26(34)29-21(28(35)36-23)13-19-10-8-7-9-11-19/h7-12,15-17,20-21,23-24,32H,6,13-14H2,1-5H3,(H,29,34)(H,31,33)/b18-12+/t17-,20+,21-,23-,24+/m1/s1 |
| SMILES | CC[C@@H](C[C@@H]1[C@@H](/C=C(/C(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)O1)CC3=CC=CC=C3)C(C)C)\C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tautz, Thomas; Hoffmann, Judith; Hoffmann, Thomas; Steinmetz, Heinrich; Washausen, Peter; Kunze, Brigitte; Huch, Volker; Kitsche, Andreas; Reichenbach, Hans; Höfle, Gerhard; Müller, Rolf; Kalesse, Markus Isolation, Structure Elucidation, Biosynthesis, and Synthesis of Antalid, a Secondary Metabolite from Polyangium species Organic Letters 2016 18 (11) 2560-2563. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b00810 | PMID | 27220069 |
SYNTHESES
| CITATION 1 | Tautz, Thomas; Hoffmann, Judith; Hoffmann, Thomas; Steinmetz, Heinrich; Washausen, Peter; Kunze, Brigitte; Huch, Volker; Kitsche, Andreas; Reichenbach, Hans; Höfle, Gerhard; Müller, Rolf; Kalesse, Markus Isolation, Structure Elucidation, Biosynthesis, and Synthesis of Antalid, a Secondary Metabolite from Polyangium species Organic Letters 2016 18 (11) 2560-2563. DOI: 10.1021/acs.orglett.6b00810 PMID: 27220069 | ||
|---|---|---|---|
