Metabolomics Structure Database

 
MW REGNO: 70661
Common Name:Trichilin A
Systematic Name:(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide;sulfuric acid
Synonyms:C08786 [PubChem Synonyms]
Exact Mass:
674.2938 (neutral)    Calculate m/z:
Formula:C35H46O13
InChIKey:AYBKFVIPPCLFDH-KPZLONJUSA-N
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
Studies:Available studies

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External database links:

PubChem CID:5462417
KEGG ID:C08786

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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