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N-Acetyllactosamine (PC000288)

Record Information
Version1.0
Creation date2015-10-09 22:29:40 UTC
Update date2017-01-19 02:36:19 UTC
FoodComEx IDPC000288
FoodDB RecordFDB019860
Chemical Information
NameN-Acetyllactosamine
DescriptionStructural unit in higher oligosaccharides present in human milk
CAS Number32181-59-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
b-D-Galactosyl-1,4-N-acetyl-D-glucosamineGenerator
beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminemanual
beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminemanual
beta-delta-Galactosyl-1,4-N-acetyl-beta-delta-glucosamineHMDB
beta-delta-Galactosyl-1,4-N-acetyl-delta-glucosamineHMDB
D-GalactopyranosylHMDB
delta-GalactopyranosylHMDB
Galbeta1-4glcnacbetaChEBI
LacNAcmanual
N-acetyl-lactosaminebiospider
N-Acetyllactosaminedb_source
β-D-galactosyl-1,4-N-acetyl-D-glucosamineGenerator
Chemical FormulaC28H50N2O22
IUPAC nameN-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)ethanimidic acid; N-[2,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid
InChI IdentifierInChI=1S/2C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14;1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18);2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)
InChI KeyDWPBOAJUXRQZDI-UHFFFAOYSA-N
Isomeric SMILESCC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O
Average Molecular Weight766.6968
Monoisotopic Molecular Weight766.285521294
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentAcylaminosugars
Alternative Parents
Substituents
  • Acylaminosugar
  • Fatty acyl glycoside
  • Fatty acyl glycoside of mono- or disaccharide
  • N-acyl-alpha-hexosamine
  • Alkyl glycoside
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Beta-hydroxy aldehyde
  • Fatty acyl
  • Oxane
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Hemiacetal
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Carboxylic acid derivative
  • Acetal
  • Polyol
  • Alcohol
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Aldehyde
  • Primary alcohol
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 170-171° (168-170°)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 5 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 8900AJ
Cayman Chemical 21043
Toronto Research Chemicals A180000