Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37329
Common Name:	Galactosylhydroxylysine
Systematic Name:	(2S)-6-amino-2-{N-hydroxy[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}hexanoic acid
RefMet Name:	Galactosylhydroxylysine
Synonyms:	[PubChem Synonyms]
Exact Mass:	324.1533 (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:	C12H24N2O8
InChIKey:	RCPOVANIIKXVTB-YPPRVYOWSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:	Glycosyl-amino acids [C0001812]
SMILES:	C(CCN)C[C@@H](C(=O)O)N(C1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	22833535
HMDB ID:	HMDB0000600
KEGG ID:	C05547
Chemspider ID:	17215976
METLIN ID:	5576

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