Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001071
PROPERTIES
| NPAID | NPA001071 |
|---|---|
| CLUSTER ID | 514 |
| NODE ID | 460 |
| NAME | Culicinin A |
| FORMULA | C61H111N11O13 |
| MOLECULAR WEIGHT (Da) | 1206.6230 |
| ACCURATE MASS (Da) | 1205.8363 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Culicinomyces |
| ORIGIN SPECIES | clavisporus, strain LL-12I252 |
| InChIKey | GJXDZMZJRPACBP-UEZYYHOCSA-N |
| InChI | InChI=1S/C61H111N11O13/c1-15-18-19-20-23-39(8)33-48(57(82)68-47(31-38(6)7)58(83)71-61(13,14)60(85)70-46(30-37(4)5)55(80)63-26-25-51(76)64-41(10)36-62-27-29-73)67-54(79)43(12)65-53(78)42(11)66-56(81)49(34-40(9)32-45(75)35-44(74)17-3)69-59(84)50-24-21-28-72(50)52(77)22-16-2/h37-43,45-50,62,73,75H,15-36H2,1-14H3,(H,63,80)(H,64,76)(H,65,78)(H,66,81)(H,67,79)(H,68,82)(H,69,84)(H,70,85)(H,71,83)/t39?,40?,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)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 |
