Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008854
PROPERTIES
| NPAID | NPA008854 |
|---|---|
| CLUSTER ID | 514 |
| NODE ID | 460 |
| NAME | Culicinin B |
| FORMULA | C62H113N11O13 |
| MOLECULAR WEIGHT (Da) | 1220.6500 |
| ACCURATE MASS (Da) | 1219.8519 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Culicinomyces |
| ORIGIN SPECIES | clavisporus, strain LL-12I252 |
| InChIKey | QBWQHQZELQRVLB-FZSRJGQMSA-N |
| InChI | InChI=1S/C62H113N11O13/c1-16-19-20-21-24-40(8)34-48(55(81)68-47(32-39(6)7)56(82)71-62(14,15)60(86)70-46(31-38(4)5)54(80)64-27-26-51(77)65-42(10)37-63-28-30-74)67-53(79)43(11)66-59(85)61(12,13)72-57(83)49(35-41(9)33-45(76)36-44(75)18-3)69-58(84)50-25-22-29-73(50)52(78)23-17-2/h38-43,45-50,63,74,76H,16-37H2,1-15H3,(H,64,80)(H,65,77)(H,66,85)(H,67,79)(H,68,81)(H,69,84)(H,70,86)(H,71,82)(H,72,83)/t40?,41?,42?,43?,45?,46-,47-,48+,49-,50-/m0/s1 |
| SMILES | CCCCCCC(C)C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NC(C)CNCCO)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)CC(CC(=O)CC)O)NC(=O)[C@@H]1CCCN1C(=O)CCC |
ORIGINAL ISOLATION REFERENCE
| CITATION | He, Haiyin; Janso, Jeffrey E.; Yang, Hui Y.; Bernan, Valerie S.; Lin, Shuo L.; Yu, Ker Culicinin D, an Antitumor Peptaibol Produced by the Fungus Culicinomyces clavisporus, strain LL-12I252 Journal of Natural Products 2006 69 (5) 736-741. | ||
|---|---|---|---|
| DOI | 10.1021/np058133r | PMID | 16724832 |
