Metabolomics Structure Database
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MW REGNO: | 50666 |
Common Name: | Polyneuridine aldehyde |
Systematic Name: | methyl 16-formylsarpagan-17-oate |
RefMet Name: | Polyneuridine aldehyde |
Synonyms: | polyneuridine aldehyde [PubChem Synonyms] |
Exact Mass: | |
Formula: | C21H22N2O3 |
InChIKey: | BRJNQOSDCDNITN-QZQCDTMFSA-N |
LIPID MAPS Category: | Polyketides |
LIPID MAPS mainclass: | Macrolides |
LIPID MAPS subclass: | Macrolides |
SMILES: | C/C=C/CN2[C@H]3C[C@@H]1[C@](C=O)([C@@H]2Cc1c2ccccc2[nH]c31)C(=O)OC |
Studies: | Available studies (via RefMet name) |
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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