Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018803
PROPERTIES
| NPAID | NPA018803 |
|---|---|
| CLUSTER ID | 2287 |
| NODE ID | 96 |
| NAME | Pleofungin D |
| FORMULA | C54H96N8O14 |
| MOLECULAR WEIGHT (Da) | 1081.4040 |
| ACCURATE MASS (Da) | 1080.7046 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. SANK 13899 |
| InChIKey | GXFBCGGMHKXYFU-JSMYWGPYSA-N |
| InChI | InChI=1S/C54H96N8O14/c1-21-32(13)40(55-17)47(66)59-42-35(16)74-52(71)38(24-28(5)6)61(19)49(68)34(15)56-48(67)43(30(9)10)62(20)50(69)36(26-63)57-45(64)37(23-27(3)4)60(18)51(70)41(33(14)22-2)58-46(65)39(25-29(7)8)75-54(73)44(31(11)12)76-53(42)72/h27-44,55,63H,21-26H2,1-20H3,(H,56,67)(H,57,64)(H,58,65)(H,59,66)/t32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@H](C(=O)O[C@H](C(=O)N1)CC(C)C)C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC)C)CC(C)C)C)C)C(C)C)C)CO)CC(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yano, Tatsuya; Aoyagi, Azusa; Kozuma, Shiho; Kawamura, Yoko; Tanaka, Isshin; Suzuki, Yasuhiro; Takamatsu, Yasuyuki; Takatsu, Toshio; Inukai, Masatoshi Pleofungins, Novel Inositol Phosphorylceramide Synthase Inhibitors, from Phoma sp. SANK 13899 Journal of Antibiotics 2007 60 (2) 136-142. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2007.13 | PMID | 17420564 |
