Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027373
PROPERTIES
| NPAID | NPA027373 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Muscotoxin B |
| FORMULA | C59H92N12O16 |
| MOLECULAR WEIGHT (Da) | 1225.4530 |
| ACCURATE MASS (Da) | 1224.6754 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Desmonostoc |
| ORIGIN SPECIES | muscorum |
| InChIKey | IENVYLXDLCRGRL-SIGWKKDNSA-N |
| InChI | InChI=1S/C59H92N12O16/c1-8-12-14-20-36(74)27-39-49(77)58(86)63-38(22-23-45(60)75)50(78)61-28-46(76)71-29-32(5)25-44(71)56(84)65-40(26-35-18-15-13-16-19-35)52(80)68-47(33(6)9-2)57(85)67-41(30-72)53(81)62-37(11-4)51(79)66-42(31-73)54(82)69-48(34(7)10-3)59(87)70-24-17-21-43(70)55(83)64-39/h11,13,15-16,18-19,32-34,36,38-44,47-49,72-74,77H,8-10,12,14,17,20-31H2,1-7H3,(H2,60,75)(H,61,78)(H,62,81)(H,63,86)(H,64,83)(H,65,84)(H,66,79)(H,67,85)(H,68,80)(H,69,82)/b37-11+/t32?,33-,34-,36?,38+,39?,40-,41-,42-,43-,44-,47+,48+,49?/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CC(C)CN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CCCCC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tomek P; Hrouzek P; Kuzma M; Sýkora J; Fiser R; Cerný J; Novák P; Bártová S; Simek P; Hof M; Kavan D; Kopecký J Cytotoxic Lipopeptide Muscotoxin A, Isolated from Soil Cyanobacterium Desmonostoc muscorum, Permeabilizes Phospholipid Membranes by Reducing Their Fluidity. Chemical Research in Toxicology 2015 28 (2) 216-224. | ||
|---|---|---|---|
| DOI | 10.1021/tx500382b | PMID | 25621379 |
