Metabolomics Structure Database
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| MW REGNO: | 55063 |
| Common Name: | Tributyl phosphate |
| Systematic Name: | tributyl phosphate |
| RefMet Name: | Tributyl phosphate |
| Synonyms: | Butyl phosphate; Phosphoric acid tri-n-butyl ester; Phosphoric acid, tributyl ester; TBP; Tri-n-butyl phosphate; Tributyl phosphate; Tributyle (phosphate de); Tributylphosphat; Tributylphosphate [PubChem Synonyms] |
| Exact Mass: | |
| Formula: | C12H27O4P |
| InChIKey: | STCOOQWBFONSKY-UHFFFAOYSA-N |
| ClassyFire superclass: | Organic acids and derivatives [C0000264] |
| ClassyFire class: | Organic phosphoric acids and derivatives [C0000402] |
| ClassyFire subclass: | Phosphate esters [C0000408] |
| ClassyFire direct parent: | Trialkyl phosphates [C0003460] |
| MoNA MS spectra: | View MS spectra |
| NP-MRD NMR spectra: | View NMR spectra |
| SMILES: | CCCCOP(=O)(OCCCC)OCCCC |
| Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
| PubChem CID: | 31357 |
| CHEBI ID: | 35019 |
| HMDB ID: | HMDB0259164 |
| KEGG ID: | C14439 |
| BMRB ID: | bmse000777 |
| NP-MRD ID(NMR): | NP0002915 |
| EPA CompTox DB: | DTXCID701986 |
| Plant Metabolite Hub(Pmhub): | MS000004063 |
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
