EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:180611 - Acetic acid-1-(2-ethoxyethoxy)ethan-1-ol
| Formula | C2H4O2.C6H14O3 |
| Net Charge | 0 |
| Average Mass | 194.227 |
| Monoisotopic Mass | 194.11542 |
| SMILES | CC(=O)O.CCOCCOC(C)O |
| InChI | InChI=1S/C6H14O3.C2H4O2/c1-3-8-4-5-9-6(2)7;1-2(3)4/h6-7H,3-5H2,1-2H3;1H3,(H,3,4) |
| InChIKey | UAPKBZSBRHKEGX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | pancreas (BTO:0000988) | MetaboLights (MTBLS1925) | Strain: PANC-1 cell [BCGO:0000122] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Acetic acid-1-(2-ethoxyethoxy)ethan-1-ol (CHEBI:180611) is a hemiacetal (CHEBI:5653) |
| IUPAC Name |
|---|
| acetic acid;1-(2-ethoxyethoxy)ethanol |
| Manual Xrefs | Databases |
|---|---|
| 28581394 | ChemSpider |