Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005844
PROPERTIES
| NPAID | NPA005844 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | Pneumocandin A3 |
| FORMULA | C51H82N8O14 |
| MOLECULAR WEIGHT (Da) | 1031.2590 |
| ACCURATE MASS (Da) | 1030.5950 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Glarea |
| ORIGIN SPECIES | lozoyensis |
| InChIKey | PVPPXJJCHCIYGN-FMLPGXNNSA-N |
| InChI | InChI=1S/C51H82N8O14/c1-6-28(2)23-29(3)13-11-9-7-8-10-12-14-40(65)53-35-21-22-41(66)55-49(71)44-45(67)30(4)26-59(44)51(73)43(38(63)25-39(52)64)57-47(69)36(20-17-32-15-18-33(61)19-16-32)54-48(70)37-24-34(62)27-58(37)50(72)42(31(5)60)56-46(35)68/h15-16,18-19,28-31,34-38,41-45,60-63,66-67H,6-14,17,20-27H2,1-5H3,(H2,52,64)(H,53,65)(H,54,70)(H,55,71)(H,56,68)(H,57,69)/t28-,29+,30-,31+,34+,35+,36-,37-,38+,41+,42-,43-,44-,45-/m0/s1 |
| SMILES | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@@H]1CC[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)CCC4=CC=C(C=C4)O)[C@@H](CC(=O)N)O)C)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 |
