Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033197
PROPERTIES
| NPAID | NPA033197 |
|---|---|
| CLUSTER ID | 873 |
| NODE ID | 755 |
| NAME | Penigainamide A |
| FORMULA | C21H23ClN2O8S3 |
| MOLECULAR WEIGHT (Da) | 563.0750 |
| ACCURATE MASS (Da) | 562.0305 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | steckii KUC1681-1 |
| InChIKey | UHBSCIRBTYMXQF-FEHKQZEWSA-N |
| InChI | InChI=1S/C21H23ClN2O8S3/c1-23-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-35-34-21(19(23)28)8-20(29)12(22)7-5-10(25)17(20)32-24(21)18(13)27/h4-7,10,12-13,16-17,25-26,29H,8H2,1-3H3/t10-,12-,13-,16+,17+,20+,21-/m1/s1 |
| SMILES | COC1=C(OC)C(O)=C([C@@H]2SSS[C@@]34C[C@@]5(O)[C@@H](ON3C(=O)[C@@H]2N(C)C4=O)[C@H](O)C=C[C@H]5Cl)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiang, Guangde; Zhang, Peilan; Ratnayake, Ranjala; Yang, Guang; Zhang, Yi; Zuo, Ran; Powell, Magan; Huguet-Tapia, José C; Abboud, Khalil A; Dang, Long H; Teplitski, Max; Paul, Valerie; Xiao, Rui; Ahammad, K H; Zaman, Uz; Hu, Zhenquan; Cao, Shugeng; Luesch, Hendrik; Ding, Yousong Fungal Epithiodiketopiperazines Carrying α,β-Polysulfide Bridges from Penicillium steckii YE, and Their Chemical Interconversion. ChemBioChem 2021 22 (2) 416-422. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.202000403 | PMID | 32816319 |
