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CHEBI:183345 - 4-acetyl-4-(ethoxycarbonyl)heptanedioic acid
| Formula | C12H18O7 |
| Net Charge | 0 |
| Average Mass | 274.269 |
| Monoisotopic Mass | 274.10525 |
| SMILES | CCOC(=O)C(CCC(=O)O)(CCC(=O)O)C(C)=O |
| InChI | InChI=1S/C12H18O7/c1-3-19-11(18)12(8(2)13,6-4-9(14)15)7-5-10(16)17/h3-7H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | OYYWSHUPASUUHF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bombus terrestris (ncbitaxon:30195) | |||
| hindgut (BTO:0000510) | MetaboLights (MTBLS3637) | ||
| brain (BTO:0000142) | MetaboLights (MTBLS3637) | ||
| hemolymph (BTO:0000572) | MetaboLights (MTBLS3637) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-acetyl-4-(ethoxycarbonyl)heptanedioic acid (CHEBI:183345) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-acetyl-4-ethoxycarbonylheptanedioic acid |
| Manual Xrefs | Databases |
|---|---|
| 2056378 | ChemSpider |