Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68662
Common Name:	N-Glycolyl-D-mannosamine 6-phosphate
Systematic Name:	[(2R,3S,4R,5S,6R)-3,4,6-trihydroxy-5-[(2-hydroxyacetyl)amino]tetrahydropyran-2-yl]methyl dihydrogen phosphate
RefMet Name:	N-Glycolyl-mannosamine 6-phosphate
Synonyms:	AC1L992T; N-Glycolyl-D-mannosamine 6-phosphate [PubChem Synonyms]
Exact Mass:	317.0512 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C8H16NO10P
InChIKey:	VKPOEZPMXKUZBS-BOSCHMPASA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	Acylaminosugars [C0000146]
SMILES:	C(C(=O)N[C@H]1[C@H]([C@@H]([C@@H](COP(=O)(O)O)O[C@H]1O)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440300
CHEBI ID:	165239
KEGG ID:	C04336
Plant Metabolite Hub(Pmhub):	MS000018304

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