Metabolomics Structure Database
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MW REGNO: | 148478 |
Common Name: | Butylphosphonate |
Systematic Name: | butylphosphonic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C4H11O3P |
InChIKey: | UOKRBSXOBUKDGE-UHFFFAOYSA-N |
ClassyFire superclass: | Organic acids and derivatives [C0000264] |
ClassyFire class: | Organic phosphonic acids and derivatives [C0000419] |
ClassyFire subclass: | Organic phosphonic acids [C0001302] |
Massbank MS spectra: | View MS spectra |
SMILES: | CCCCP(=O)(O)O |
Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 76839 |
Drugbank ID: | DB03999 |
Calculated physicochemical properties:
No data available
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