Metabolomics Structure Database

 
MW REGNO: 38355
Common Name:Levan
Systematic Name:(2R,3S,4S,5S)-5-{[(2S,3S,4S,5R)-5-({[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]methoxy}-2-(hydroxymethyl)oxolane-2,3,4-triol
RefMet Name:Levan
Synonyms: [PubChem Synonyms]
Exact Mass:
504.1690 (neutral)    Calculate m/z:
Formula:C18H32O16
InChIKey:AIHDCSAXVMAMJH-GFBKWZILSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:O-glycosyl compounds [C0002207]
SMILES:C([C@@H]1[C@H]([C@@H]([C@](CO)(OC[C@@H]2[C@H]([C@@H]([C@](CO)(CO[C@@H]3[C@H]([C@@H]([C@](CO)(O)O3)O)O)O2)O)O)O1)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:22833608
HMDB ID:HMDB0003539
KEGG ID:C06215
Chemspider ID:17216231
METLIN ID:6945

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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