Metabolomics Structure Database

 
MW REGNO: 38846
Common Name:N-Acetylneuraminate 9-phosphate
Systematic Name:(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
389.0723 (neutral)    Calculate m/z:
Formula:C11H20NO12P
InChIKey:SQMNIXJSBCSNCI-KHLKYKDFSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:N-acylneuraminic acids [C0003048]
SMILES:CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)COP(=O)(O)O)OC(O)(C(=O)O)C[C@H]1O
Studies:-

Select appropriate tab below to view additional details:

External database links:

PubChem CID:53477814
HMDB ID:HMDB0006268
KEGG ID:C06241
Plant Metabolite Hub(Pmhub):MS000019067

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