Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003492
PROPERTIES
| NPAID | NPA003492 |
|---|---|
| CLUSTER ID | 364 |
| NODE ID | 328 |
| NAME | Pneumocandin D0 |
| FORMULA | C50H80N8O18 |
| MOLECULAR WEIGHT (Da) | 1081.2280 |
| ACCURATE MASS (Da) | 1080.5591 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Zalerion |
| ORIGIN SPECIES | arboricola (ATCC 20957) |
| InChIKey | QDHVQAJPCGRBRI-KUHHGTECSA-N |
| InChI | InChI=1S/C50H80N8O18/c1-5-24(2)18-25(3)12-10-8-6-7-9-11-13-36(66)52-30-20-33(63)46(72)56-48(74)40-42(68)34(64)23-58(40)50(76)38(32(62)21-35(51)65)54-47(73)39(43(69)41(67)27-14-16-28(60)17-15-27)55-45(71)31-19-29(61)22-57(31)49(75)37(26(4)59)53-44(30)70/h14-17,24-26,29-34,37-43,46,59-64,67-69,72H,5-13,18-23H2,1-4H3,(H2,51,65)(H,52,66)(H,53,70)(H,54,73)(H,55,71)(H,56,74)/t24?,25?,26-,29-,30-,31+,32-,33-,34+,37+,38+,39+,40+,41+,42+,43+,46-/m1/s1 |
| SMILES | CCC(C)CC(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@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Morris; Schwartz; Sesin; Masurekar; Hallada; Schmatz; Bartizal; Hensens; Zink Pneumocandin D0, a new antifungal agent and potent inhibitor of Pneumocystis carinii Journal of Antibiotics 1994 47 (7) 755-764. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.755 | PMID | 8071120 |
