Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007307
PROPERTIES
| NPAID | NPA007307 |
|---|---|
| CLUSTER ID | 2740 |
| NODE ID | 2120 |
| NAME | MS-681d |
| FORMULA | C60H92N12O9 |
| MOLECULAR WEIGHT (Da) | 1125.4710 |
| ACCURATE MASS (Da) | 1124.7110 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | sp. KY6568 |
| InChIKey | RNBLAEPFMPJRIZ-JCXXQLBHSA-N |
| InChI | InChI=1S/C60H92N12O9/c1-11-58(8,69-50(75)41(4)65-53(78)57(6,7)72-56(81)60(10,13-3)71-51(76)47(66-42(5)73)37-44-28-19-15-20-29-44)54(79)64-40-49(74)68-48(38-45-30-21-16-22-31-45)52(77)70-59(9,12-2)55(80)67-46(36-43-26-17-14-18-27-43)39-63-35-25-34-62-33-24-23-32-61/h14-22,26-31,41,46-48,62-63H,11-13,23-25,32-40,61H2,1-10H3,(H,64,79)(H,65,78)(H,66,73)(H,67,80)(H,68,74)(H,69,75)(H,70,77)(H,71,76)(H,72,81)/t41-,46-,47-,48-,58-,59-,60-/m0/s1 |
| SMILES | CC[C@@](C)(C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@](C)(CC)C(=O)N[C@@H](CC2=CC=CC=C2)CNCCCNCCCCN)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@](C)(CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yano, Hiroshi; Nakanishi, Satoshi; Ikuina, Yoji; Ando, Katsuhiko; Yoshida, Mayumi; Saitoh, Yutaka; Matsuda, Yuzuru MS-681a, b, c and d, new inhibitors of myosin light chain kinase from Myrothecium sp. KY6568. I. Characterization of producing strain and production, isolation and biological activities Journal of Antibiotics 1997 50 (12) 992-997. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.50.992 | PMID | 9510904 |
