Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020288
PROPERTIES
| NPAID | NPA020288 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | Echinocandin B |
| FORMULA | C52H81N7O16 |
| MOLECULAR WEIGHT (Da) | 1060.2530 |
| ACCURATE MASS (Da) | 1059.5740 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | nidulans var. echinulatus |
| InChIKey | FAUOJMHVEYMQQG-HVYQDZECSA-N |
| InChI | InChI=1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9-,13-12-/t29-,30+,31+,34+,35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,48+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](C)O)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nyfeler R; Keller-Schierlein W [Metabolites of microorganisms. 143. Echinocandin B, a novel polypeptide-antibiotic from Aspergillus nidulans var. echinulatus: isolation and structural components]. Helvetica Chimica Acta 1974 57 (8) 2459-2477. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.19740570818 | PMID | 4613708 |
