EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:205567 - AAL Toxin Tb2
| Formula | C25H47NO9 |
| Net Charge | 0 |
| Average Mass | 505.649 |
| Monoisotopic Mass | 505.32508 |
| SMILES | CCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(O)CC(C)CCCCCCC(O)CC(O)CN |
| InChI | InChI=1S/C25H47NO9/c1-4-17(3)24(35-23(32)13-18(25(33)34)12-22(30)31)21(29)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-29H,4-15,26H2,1-3H3,(H,30,31)(H,33,34) |
| InChIKey | RXORSUNDLFDGCD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alternaria alternata f.species lycopersici (ncbitaxon:1261141) | - | DOI (10.1021/jf00038a018) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| AAL Toxin Tb2 (CHEBI:205567) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 2-[2-(17-amino-5,14,16-trihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl]butanedioic acid |
| Manual Xrefs | Databases |
|---|---|
| 78444564 | ChemSpider |