Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009140
PROPERTIES
| NPAID | NPA009140 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | Pneumocandin A1 |
| FORMULA | C51H82N8O16 |
| MOLECULAR WEIGHT (Da) | 1063.2570 |
| ACCURATE MASS (Da) | 1062.5849 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Glarea |
| ORIGIN SPECIES | lozoyensis |
| InChIKey | QHYUKZZCYGMWMK-FGYLIMHMSA-N |
| InChI | InChI=1S/C51H82N8O16/c1-6-26(2)19-27(3)13-11-9-7-8-10-12-14-40(67)53-33-22-38(65)48(72)57-49(73)43-44(68)28(4)24-59(43)51(75)42(37(64)23-39(52)66)56-46(70)34(21-36(63)30-15-17-31(61)18-16-30)54-47(71)35-20-32(62)25-58(35)50(74)41(29(5)60)55-45(33)69/h15-18,26-29,32-38,41-44,48,60-65,68,72H,6-14,19-25H2,1-5H3,(H2,52,66)(H,53,67)(H,54,71)(H,55,69)(H,56,70)(H,57,73)/t26-,27+,28-,29+,32+,33+,34-,35-,36+,37+,38+,41-,42-,43-,44-,48+/m0/s1 |
| SMILES | CC[C@H](C)C[C@H](C)CCCCCCCCC(=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[C@H](C4=CC=C(C=C4)O)O)[C@@H](CC(=O)N)O)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schwartz, Robert E; Sesin, David F; Joshua, Henry; Wilson, Kenneth E; Kempf, August J; Goklen, Kent A; Kuehner, Daniel; Gailliot, Patrick; Gleason, Carolyn; WHITE, RAYMOND; others Pneumocandins from Zalerion arboricola. I. DISCOVERY AND ISOLATION Journal of Antibiotics 1992 45 (12) 1853-1866. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1853 | PMID | 1490876 |
