Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010600
PROPERTIES
| NPAID | NPA010600 |
|---|---|
| CLUSTER ID | 2713 |
| NODE ID | 2105 |
| NAME | Sch 20561 |
| FORMULA | C57H86N12O16 |
| MOLECULAR WEIGHT (Da) | 1195.3830 |
| ACCURATE MASS (Da) | 1194.6285 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Aeromonas |
| ORIGIN SPECIES | sp. W-10 |
| InChIKey | WRRXLNFHXIMOFU-QXTPRVETSA-N |
| InChI | InChI=1S/C57H86N12O16/c1-8-11-12-13-14-15-16-17-18-19-38(73)28-45(75)62-39(9-2)52(79)68-48-34(6)85-57(84)43(27-36-29-59-31-61-36)66-56(83)49(33(5)71)69(7)46(76)30-60-50(77)41(24-25-44(58)74)64-51(78)40(10-3)63-53(80)42(26-35-20-22-37(72)23-21-35)65-54(81)47(32(4)70)67-55(48)82/h9-10,20-23,29,31-34,38,41-43,47-49,70-73H,8,11-19,24-28,30H2,1-7H3,(H2,58,74)(H,59,61)(H,60,77)(H,62,75)(H,63,80)(H,64,78)(H,65,81)(H,66,83)(H,67,82)(H,68,79)/b39-9+,40-10+/t32-,33+,34-,38-,41-,42-,43+,47-,48+,49+/m1/s1 |
| SMILES | CCCCCCCCCCC[C@H](CC(=O)N/C(=C/C)/C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CNC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)[C@H](NC(=O)[C@H](NC1=O)[C@@H](C)O)CC2=CC=C(C=C2)O)CCC(=O)N)C)[C@H](C)O)CC3=CN=CN3)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Afonso, Adriano; Hon, Frank; Brambilla, Ray; Puar, Mohindar S. Structure elucidation of Sch 20561, a cyclic dehydropeptide lactone: A major component of W-10 antifungal antibiotic Journal of Antibiotics 1999 52 (4) 398-406. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.398 | PMID | 10395275 |
