Metabolomics Structure Database
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MW REGNO: | 350 |
Common Name: | Phthioceranic acid (C43) |
Systematic Name: | 2S,4S,6S,8S,10S,12S,14S,16S,18S-nonamethyl-tetratriacontanoic acid |
RefMet Name: | Phthioceranic acid (C43) |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C43H86O2 |
InChIKey: | VLMCBZNGKAAYTN-UTALAWHWSA-N |
LIPID MAPS Category: | Fatty Acyls [FA] |
LIPID MAPS mainclass: | Fatty Acids and Conjugates [FA01] |
LIPID MAPS subclass: | Branched fatty acids [FA0102] |
SMILES: | CCCCCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C(O)=O |
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