JM47
-
Formula: C21H34N4O6
-
Molecular weight: 438.50
-
Smiles: CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(=O)C(C)O
-
Type: Cyclopeptide
JM47
Names
-
Mycotoxin name: JM47
-
First synonym: None
-
Synonyms: JM47,CHEBI:204033,(3S,6R,9S,12R)-3-[(7S)-7-hydroxy-6-oxooctyl]-6,9-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Identifiers / External links
-
PubChem CID: 10939058
-
ChemSpiderID: 9114293
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:204033
Structure
-
Smiles: CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(=O)C(C)O
-
Isomeric smiles: C[C@@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)C)CCCCCC(=O)[C@H](C)O
-
Inchi: InChI=1S/C21H34N4O6/c1-12-18(28)22-13(2)19(29)24-15(8-5-4-6-10-17(27)14(3)26)21(31)25-11-7-9-16(25)20(30)23-12/h12-16,26H,4-11H2,1-3H3,(H,22,28)(H,23,30)(H,24,29)/t12-,13+,14-,15-,16+/m0/s1
-
Inchikey: LITDOSAZPRIJRA-XFIYOXNOSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C21H34N4O6
-
Molecular weight: 438.50
-
Monoisotopic mass: 438.24783482
Select an endpoint:
| Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Endpoint | Tool | Value | Unit | Comments | Reference |
|---|
Fungi
-
Fungi id Species