Metabolomics Structure Database
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MW REGNO: | 67553 |
Common Name: | DIBUTYL ADIPATE |
Systematic Name: | dibutyl hexanedioate |
RefMet Name: | Dibutyl adipate |
Synonyms: | Dibutyl hexanedioate; Di-n-butyl adipate; Butyl adipate; Hexanedioic acid, dibutyl ester [PubChem Synonyms] |
Exact Mass: | |
Formula: | C14H26O4 |
InChIKey: | XTJFFFGAUHQWII-UHFFFAOYSA-N |
LIPID MAPS Category: | Fatty Acyls [FA] |
LIPID MAPS mainclass: | Fatty esters [FA07] |
LIPID MAPS subclass: | Wax diesters [FA0702] |
Massbank MS spectra: | View MS spectra |
SMILES: | CCCCOC(=O)CCCCC(=O)OCCCC |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 7784 |
HMDB ID: | HMDB0251172 |
KEGG ID: | C14253 |
Plant Metabolite Hub(Pmhub): | MS000002204 |
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