RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0155891
RefMet name	Lactosamine
Systematic name	(2R,3R,4S,5R)-2-amino-3,5,6-trihydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal
Synonyms	PubChem Synonyms
Exact mass	341.132199 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C12H23NO10	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38959 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C12H23NO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2,13H2/t3-,4-,5-,6+,7-,8+,9-, 10-,11?,12+/m1/s1
InChIKey	PNIWLNAGKUGXDO-LNCRCTFVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@@H](CO)OC([C@@H]([C@H]1O)N)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Disaccharides
Sub Class	Amino disaccharides
Distribution of Lactosamine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Lactosamine
External Links
Pubchem CID	11473293
ChEBI ID	25001
KEGG ID	C00203
HMDB ID	HMDB0006591
Chemspider ID	106391
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Lactosamine

Rxn ID	KEGG Reaction	Enzyme
R00418	UDP-N-acetyl-alpha-D-glucosamine <=> UDP-N-acetyl-D-galactosamine	UDP-N-acetyl-D-glucosamine 4-epimerase
R10183	UTP + N-Acetyl-alpha-D-galactosamine 1-phosphate <=> Diphosphate + UDP-N-acetyl-D-galactosamine	UTP:N-acetyl-alpha-D-galactosamine-1-phosphate uridylyltransferase

Table of KEGG human pathways containing Lactosamine

Pathway ID	Human Pathway	# of reactions
hsa01250	Biosynthesis of nucleotide sugars	2
hsa00520	Amino sugar and nucleotide sugar metabolism	1
hsa01100	Metabolic pathways	1