Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003200
PROPERTIES
| NPAID | NPA003200 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | L-733686 |
| FORMULA | C50H80N8O16 |
| MOLECULAR WEIGHT (Da) | 1049.2300 |
| ACCURATE MASS (Da) | 1048.5692 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Zalerion |
| ORIGIN SPECIES | arboricola |
| InChIKey | PFXIZOCFMFTNRB-TWAQXPFFSA-N |
| InChI | InChI=1S/C50H80N8O16/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-38(66)53-33-21-31(61)24-52-48(72)42-35(63)18-19-57(42)50(74)40(36(64)23-37(51)65)55-47(71)41(44(68)43(67)29-14-16-30(60)17-15-29)56-46(70)34-22-32(62)25-58(34)49(73)39(28(4)59)54-45(33)69/h14-17,26-28,31-36,39-44,59-64,67-68H,5-13,18-25H2,1-4H3,(H2,51,65)(H,52,72)(H,53,66)(H,54,69)(H,55,71)(H,56,70)/t26?,27?,28-,31-,32-,33+,34+,35+,36-,39+,40+,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]([C@H](C4=CC=C(C=C4)O)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 |
