Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016311
PROPERTIES
| NPAID | NPA016311 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | L-692289 |
| FORMULA | C50H80N8O15 |
| MOLECULAR WEIGHT (Da) | 1033.2310 |
| ACCURATE MASS (Da) | 1032.5743 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Zalerion |
| ORIGIN SPECIES | arboricola |
| InChIKey | ZDGSWUBIMMFISL-IQTRWBIESA-N |
| InChI | InChI=1S/C50H80N8O15/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(67)53-34-22-32(61)25-52-48(71)44-36(63)18-19-57(44)50(73)43(38(65)24-39(51)66)56-47(70)42(37(64)21-30-14-16-31(60)17-15-30)55-46(69)35-23-33(62)26-58(35)49(72)41(29(4)59)54-45(34)68/h14-17,27-29,32-38,41-44,59-65H,5-13,18-26H2,1-4H3,(H2,51,66)(H,52,71)(H,53,67)(H,54,68)(H,55,69)(H,56,70)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1 |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2[C@H](CCN2C(=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](CC4=CC=C(C=C4)O)O)[C@@H](CC(=O)N)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | SCHMATZ, D. M.; ABRUZZO, G.; POWLES, M. A.; MCFADDEN, D. C.; BALKOVEC, J. M.; BLACK, R. M.; NOLLSTADT, K.; BARTIZAL, K. Pneumocandins from Zalerion arboricola. IV. Biological evaluation of natural and semisynthetic pneumocandins for activity against Pneumocystis carinii and Candida species Journal of Antibiotics 1992 45 (12) 1886-1891. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1886 | PMID | 1490879 |
