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CHEBI:189386 - AAL Toxin Te1
| Formula | C27H49NO9 |
| Net Charge | 0 |
| Average Mass | 531.687 |
| Monoisotopic Mass | 531.34073 |
| SMILES | CCC(C)C(O)C(CC(C)CCCCCCCCC(O)CNC(C)=O)OC(=O)CC(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C27H49NO9/c1-5-19(3)26(34)23(37-25(33)16-21(27(35)36)15-24(31)32)14-18(2)12-10-8-6-7-9-11-13-22(30)17-28-20(4)29/h18-19,21-23,26,30,34H,5-17H2,1-4H3,(H,28,29)(H,31,32)(H,35,36) |
| InChIKey | XRIPCOGRCJFLJK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alternaria alternata f.species lycopersici (ncbitaxon:1261141) | - | DOI (10.1021/jf00038a018) | |
| Arabidopsis thaliana (ncbitaxon:3702) | leaf (BTO:0000713) | MetaboLights (MTBLS3997) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| AAL Toxin Te1 (CHEBI:189386) is a carbonyl compound (CHEBI:36586) |
| IUPAC Names |
|---|
| 2-[2-(17-acetamido-4,16-dihydroxy-3,7-dimethylheptadecan-5-yl)oxy-2-oxoethyl]butanedioic acid |
| (2R)-2-[2-[(3R,4R,5S,7S,16S)-17-acetamido-4,16-dihydroxy-3,7-dimethylheptadecan-5-yl]oxy-2-oxoethyl]butanedioic acid |