Metabolomics Structure Database

 
MW REGNO: 29137
Common Name:Dolichol-20
Systematic Name:alpha-dihydroeicosaprenol
RefMet Name:Dolichol-20
Synonyms: [PubChem Synonyms]
Exact Mass:
1381.2782 (neutral)    Calculate m/z:
Formula:C100H164O
InChIKey:KEVPZUBEAUSPNJ-YETSSXBSSA-N
LIPID MAPS Category:Prenol Lipids [PR]
LIPID MAPS mainclass:Polyprenols [PR03]
LIPID MAPS subclass:Dolichols [PR0307]
SMILES:CC(=CCC/C(=C/CC/C(=C/CC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC[C@H](C)CCO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5283555
LIPID MAPS ID:LMPR03070004
CHEBI ID:16091
HMDB ID:HMDB0005176
KEGG ID:C00381

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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