Metabolomics Structure Database
|
MW REGNO: | 44925 |
Common Name: | Methyl acetate |
Systematic Name: | methyl acetate |
RefMet Name: | Methyl acetate |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C3H6O2 |
InChIKey: | KXKVLQRXCPHEJC-UHFFFAOYSA-N |
ClassyFire superclass: | Organic acids and derivatives [C0000264] |
ClassyFire class: | Carboxylic acids and derivatives [C0000265] |
ClassyFire subclass: | Carboxylic acid derivatives [C0001093] |
ClassyFire direct parent: | Acetate salts [C0003919] |
Massbank MS spectra: | View MS spectra |
SMILES: | CC(=O)OC |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 6584 |
HMDB ID: | HMDB0031523 |
KEGG ID: | C17530 |
Chemspider ID: | 6335 |
MetaCyc ID: | METHYL-ACETATE |
EPA CompTox DB: | DTXCID101767 |
Plant Metabolite Hub(Pmhub): | MS000008565 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y