Metabolomics Structure Database

 
MW REGNO: 135438
Common Name:Beta-Amyrin Palmitate
Systematic Name:[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
Synonyms: [PubChem Synonyms]
Exact Mass:
664.6158 (neutral)    Calculate m/z:
Formula:C46H80O2
InChIKey:VFSRKCNYYCXRGI-JWDOTDQPSA-N
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
ClassyFire class:Prenol lipids [C0000259]
ClassyFire subclass:Triterpenoids [C0001553]
SMILES:CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

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

  logo