Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011088
PROPERTIES
| NPAID | NPA011088 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | Pneumocandin A2 |
| FORMULA | C51H82N8O15 |
| MOLECULAR WEIGHT (Da) | 1047.2580 |
| ACCURATE MASS (Da) | 1046.5900 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Glarea |
| ORIGIN SPECIES | lozoyensis |
| InChIKey | RTMQLLLPNLXDSP-YHZXBQRISA-N |
| InChI | InChI=1S/C51H82N8O15/c1-6-27(2)22-28(3)14-11-9-7-8-10-12-16-38(65)54-34-15-13-21-53-49(72)42-43(66)29(4)25-59(42)51(74)40(36(63)24-37(52)64)56-48(71)41(45(68)44(67)31-17-19-32(61)20-18-31)57-47(70)35-23-33(62)26-58(35)50(73)39(30(5)60)55-46(34)69/h17-20,27-30,33-36,39-45,60-63,66-68H,6-16,21-26H2,1-5H3,(H2,52,64)(H,53,72)(H,54,65)(H,55,69)(H,56,71)(H,57,70)/t27-,28+,29-,30+,33+,34+,35-,36+,39-,40-,41-,42-,43-,44-,45-/m0/s1 |
| SMILES | CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@@H]1CCCNC(=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](CC(=O)N)O)C)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 |
