AAL toxin TD2
-
Formula: C27H49NO10
-
Molecular weight: 547.70
-
Smiles: CCC(C)C(C(CC(C)CCCCCCC(CC(CNC(=O)C)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O
-
Type: Fumonisin
AAL toxin TD2
Names
-
Mycotoxin name: AAL toxin TD2
-
First synonym: None
-
Synonyms: AAL Toxin TD2,2-[2-(17-acetamido-5,14,16-trihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl]butanedioic acid,176590-36-6,2-(2-(17-acetamido-5,14,16-trihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl)butanedioic acid,CHEBI:216816
Identifiers / External links
-
CAS: 176590-36-6
-
PubChem CID: 10392717
-
ChemSpiderID: 8568159
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:216816
Structure
-
Smiles: CCC(C)C(C(CC(C)CCCCCCC(CC(CNC(=O)C)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O
-
Isomeric smiles: CCC(C)C(C(CC(C)CCCCCCC(CC(CNC(=O)C)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O
-
Inchi: InChI=1S/C27H49NO10/c1-5-18(3)26(38-25(35)14-20(27(36)37)13-24(33)34)23(32)12-17(2)10-8-6-7-9-11-21(30)15-22(31)16-28-19(4)29/h17-18,20-23,26,30-32H,5-16H2,1-4H3,(H,28,29)(H,33,34)(H,36,37)
-
Inchikey: SHYASWXLCRZPLI-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C27H49NO10
-
Molecular weight: 547.70
-
Monoisotopic mass: 547.33564676
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 543 Fusarium moniliforme