Metabolomics Structure Database

 
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:
634.6628 (neutral)    Calculate m/z:
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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External database links:

PubChem CID:52921736
LIPID MAPS ID:LMFA01020304
CHEBI ID:165372

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

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