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](O)CC(O)(O[C@H]1[C@@H](O)[C@@H](O)COP(O)(O)=O)C(O)=O
Studies:-

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

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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