Metabolomics Structure Database

 
MW REGNO: 78627
Common Name:Lipomycin
Systematic Name:3-[(4E)-4-[(2E,4E,6E,8E,10E)-13-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-10,12,14-trimethylpentadeca-2,4,6,8,10-pentaenylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]propanoic acid
RefMet Name:Lipomycin
Synonyms: [PubChem Synonyms]
Exact Mass:
587.3094 (neutral)    Calculate m/z:
Formula:C32H45NO9
InChIKey:ALLWPCYJUTZQBK-JGYQNBBASA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Glycosyl compounds [C0002105]
SMILES:CC(C)C(C(C)/C=C(\C)/C=C/C=C/C=C/C=C/C(=O)C1=C(C(CCC(=O)O)N(C)C1=O)O)O[C@H]1C[C@@H]([C@@H]([C@@H](C)O1)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:54723870
KEGG ID:C15842
Plant Metabolite Hub(Pmhub):MS000024842

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