Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027372
PROPERTIES
| NPAID | NPA027372 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Muscotoxin A |
| FORMULA | C58H90N12O16 |
| MOLECULAR WEIGHT (Da) | 1211.4260 |
| ACCURATE MASS (Da) | 1210.6598 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Desmonostoc |
| ORIGIN SPECIES | muscorum |
| InChIKey | WYLYXGBHDIWORI-OJRIBGMLSA-N |
| InChI | InChI=1S/C58H90N12O16/c1-7-11-13-20-35(73)28-38-48(76)57(85)62-37(23-24-44(59)74)49(77)60-29-45(75)69-25-16-21-42(69)54(82)64-39(27-34-18-14-12-15-19-34)51(79)67-46(32(5)8-2)56(84)66-40(30-71)52(80)61-36(10-4)50(78)65-41(31-72)53(81)68-47(33(6)9-3)58(86)70-26-17-22-43(70)55(83)63-38/h10,12,14-15,18-19,32-33,35,37-43,46-48,71-73,76H,7-9,11,13,16-17,20-31H2,1-6H3,(H2,59,74)(H,60,77)(H,61,80)(H,62,85)(H,63,83)(H,64,82)(H,65,78)(H,66,84)(H,67,79)(H,68,81)/b36-10+/t32-,33-,35?,37+,38?,39-,40-,41-,42-,43-,46+,47+,48?/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]2CCCN2C(=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 |
