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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-11-15 21:04:29 UTC
HMDB IDHMDB0000212
Secondary Accession Numbers
  • HMDB0000835
  • HMDB00212
  • HMDB00835
Metabolite Identification
Common NameN-Acetylgalactosamine
DescriptionN-Acetylgalactosamine, also known as GalNAc, belongs to the class of organic compounds known as N-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an N-acyl group. N-Acetylgalactosamine is also classified as an amino sugar derivative of galactose. In humans GalNAc functions as the terminal carbohydrate forming the antigen of blood group A. GalNAc is typically the first monosaccharide that connects serine or threonine during protein O-glycosylation and the formation of glycoproteins. This is often referred to as mucin-type O-glycosylation, as the mucins (a class of a family of high molecular weight, heavily glycosylated proteins produced by epithelial tissues in most animals which have an ability to form gels) are heavily O-GalNAc modified. Interestingly, mammals have genes encoding for approximately 20 different polypeptide-N-acetylgalactosaminyltransferases (ppGalNAcTs), all of which transfer GalNAc from UDP-GalNAc to a hydroxyl-containing amino acids such as serine or threonine. N- O-GalNAc-containing glycoproteins appear to play a variety of essential roles. Among these is the ability of the mucins to hydrate and protect tissues by trapping bacteria. These O-glycans can also significantly alter the conformation of the protein and on the heavily modified proteins may protect the polypeptide from proteolytic digestion. O-GalNAc structures also appear to play an essential role in sperm-egg interactions. From a pathophysiological perspective, O-GalNAc modification appears to play a critical role in the immune system, cell-cell interactions, and cancer. N-Acetylgalactosamine is an important constituent of brain heteropolysaccharides (glycoproteins). The concentration of the N-acetylgalactosamine-containing glycoproteins in the 3-year-old cerebral gray matter from human brain is 7-15 times greater than in 8-year old tissue and 15-30 times greater than in 72-year-old tissue. Outside of the human body, N-Acetylgalactosamine has been detected, but not quantified in, several different foods, such as prickly pears, italian sweet red peppers, wheats, silver lindens, and sour cherries. This could make N-acetylgalactosamine a potential biomarker for the consumption of these foods.
Structure
Data?1582752116
Synonyms
ValueSource
2-(Acetylamino)-2-deoxy-alpha-D-galactopyranoseChEBI
alpha-GalNAcChEBI
alpha-GalpNAcChEBI
GalNAc-alphaChEBI
TnChEBI
TN Antigen saccharideChEBI
TN Antigen saccharide componentChEBI
TN SaccharideChEBI
TN Saccharide componentChEBI
2-(Acetylamino)-2-deoxy-a-D-galactopyranoseGenerator
2-(Acetylamino)-2-deoxy-α-D-galactopyranoseGenerator
a-GalNAcGenerator
Α-galnacGenerator
a-GalpNAcGenerator
Α-galpnacGenerator
GalNAc-aGenerator
GalNAc-αGenerator
2-Acetamido-2-deoxy-a-D-allopyranoseHMDB
2-Acetamido-2-deoxy-a-D-glucopyranoseHMDB
2-Acetamido-2-deoxy-alpha-D-allopyranoseHMDB
2-Acetamido-2-deoxy-alpha-D-glucopyranoseHMDB
2-Acetamido-2-deoxy-alpha-delta-allopyranoseHMDB
2-Acetamido-2-deoxy-alpha-delta-glucopyranoseHMDB
2-Acetamido-2-deoxy-b-D-glucopyranoseHMDB
2-Acetamido-2-deoxy-beta-D-glucopyranoseHMDB
2-Acetamido-2-deoxy-beta-delta-glucopyranoseHMDB
2-Acetamido-2-desoxy-b-D-talofuranoseHMDB
2-Acetamido-2-desoxy-beta-D-talofuranoseHMDB
2-Acetamido-2-desoxy-beta-delta-talofuranoseHMDB
2-Acetamino-2-deoxy-a-D-glucoseHMDB
2-Acetamino-2-deoxy-alpha-D-glucoseHMDB
2-Acetamino-2-deoxy-alpha-delta-glucoseHMDB
2-Acetamino-2-desoxy-a-D-glucopyranoseHMDB
2-Acetamino-2-desoxy-alpha-D-glucopyranoseHMDB
2-Acetamino-2-desoxy-alpha-delta-glucopyranoseHMDB
2-Acetamino-2-desoxy-D-galaktoseHMDB
2-Acetamino-2-desoxy-D-glucoseHMDB
2-Acetamino-2-desoxy-delta-galaktoseHMDB
2-Acetamino-2-desoxy-delta-glucoseHMDB
2-Acetylamino-2-deoxy-a-D-galactopyranoseHMDB
2-Acetylamino-2-deoxy-a-D-glucopyranoseHMDB
2-Acetylamino-2-deoxy-a-D-mannopyranoseHMDB
2-Acetylamino-2-deoxy-alpha-D-galactopyranoseHMDB
2-Acetylamino-2-deoxy-alpha-D-glucopyranoseHMDB
2-Acetylamino-2-deoxy-alpha-D-mannopyranoseHMDB
2-Acetylamino-2-deoxy-alpha-delta-galactopyranoseHMDB
2-Acetylamino-2-deoxy-alpha-delta-glucopyranoseHMDB
2-Acetylamino-2-deoxy-alpha-delta-mannopyranoseHMDB
2-Acetylamino-2-deoxy-b-D-allopyranoseHMDB
2-Acetylamino-2-deoxy-b-D-altropyranoseHMDB
2-Acetylamino-2-deoxy-b-D-galactopyranoseHMDB
2-Acetylamino-2-deoxy-b-D-glucopyranoseHMDB
2-Acetylamino-2-deoxy-b-D-mannopyranoseHMDB
2-Acetylamino-2-deoxy-beta-D-allopyranoseHMDB
2-Acetylamino-2-deoxy-beta-D-altropyranoseHMDB
2-Acetylamino-2-deoxy-beta-D-galactopyranoseHMDB
2-Acetylamino-2-deoxy-beta-D-glucopyranoseHMDB
2-Acetylamino-2-deoxy-beta-D-mannopyranoseHMDB
2-Acetylamino-2-deoxy-beta-delta-allopyranoseHMDB
2-Acetylamino-2-deoxy-beta-delta-altropyranoseHMDB
2-Acetylamino-2-deoxy-beta-delta-galactopyranoseHMDB
2-Acetylamino-2-deoxy-beta-delta-glucopyranoseHMDB
2-Acetylamino-2-deoxy-beta-delta-mannopyranoseHMDB
2-Acetylamino-2-desoxy-a-D-galaktoseHMDB
2-Acetylamino-2-desoxy-a-D-mannoseHMDB
2-Acetylamino-2-desoxy-alpha-D-galaktoseHMDB
2-Acetylamino-2-desoxy-alpha-D-mannoseHMDB
2-Acetylamino-2-desoxy-alpha-delta-galaktoseHMDB
2-Acetylamino-2-desoxy-alpha-delta-mannoseHMDB
2-Acetylamino-2-desoxy-b-D-galaktoseHMDB
2-Acetylamino-2-desoxy-b-D-mannoseHMDB
2-Acetylamino-2-desoxy-beta-D-galaktoseHMDB
2-Acetylamino-2-desoxy-beta-D-mannoseHMDB
2-Acetylamino-2-desoxy-beta-delta-galaktoseHMDB
2-Acetylamino-2-desoxy-beta-delta-mannoseHMDB
2-Acetylamino-2-desoxy-D-mannoseHMDB
2-Acetylamino-2-desoxy-delta-mannoseHMDB
2-Acetylamino-2-desoxy-DL-glucopyranoseHMDB
2-Acetylamino-a-D-2-deoxy-galactopyranoseHMDB
2-Acetylamino-a-D-2-deoxy-glucopyranoseHMDB
2-Acetylamino-a-D-2-deoxy-glucoseHMDB
2-Acetylamino-a-D-2-deoxy-mannopyranoseHMDB
2-Acetylamino-alpha-D-2-deoxy-galactopyranoseHMDB
2-Acetylamino-alpha-D-2-deoxy-glucopyranoseHMDB
2-Acetylamino-alpha-D-2-deoxy-glucoseHMDB
2-Acetylamino-alpha-D-2-deoxy-mannopyranoseHMDB
2-Acetylamino-alpha-delta-2-deoxy-galactopyranoseHMDB
2-Acetylamino-alpha-delta-2-deoxy-glucopyranoseHMDB
2-Acetylamino-alpha-delta-2-deoxy-glucoseHMDB
2-Acetylamino-alpha-delta-2-deoxy-mannopyranoseHMDB
2-Acetylamino-b-D-2-deoxy-galactopyranoseHMDB
2-Acetylamino-b-D-2-deoxy-glucopyranoseHMDB
2-Acetylamino-b-D-2-deoxy-mannopyranoseHMDB
2-Acetylamino-beta-D-2-deoxy-galactopyranoseHMDB
2-Acetylamino-beta-D-2-deoxy-glucopyranoseHMDB
2-Acetylamino-beta-D-2-deoxy-mannopyranoseHMDB
2-Acetylamino-beta-delta-2-deoxy-galactopyranoseHMDB
2-Acetylamino-beta-delta-2-deoxy-glucopyranoseHMDB
2-Acetylamino-beta-delta-2-deoxy-mannopyranoseHMDB
2-Acetylamino-D-2-deoxy-galactoseHMDB
2-Acetylamino-D-2-deoxy-glucoseHMDB
2-Acetylamino-D-2-deoxy-guloseHMDB
2-Acetylamino-D-2-deoxy-idoseHMDB
2-Acetylamino-D-2-deoxy-mannoseHMDB
2-Acetylamino-D-2-deoxy-taloseHMDB
2-Acetylamino-delta-2-deoxy-galactoseHMDB
2-Acetylamino-delta-2-deoxy-glucoseHMDB
2-Acetylamino-delta-2-deoxy-guloseHMDB
2-Acetylamino-delta-2-deoxy-idoseHMDB
2-Acetylamino-delta-2-deoxy-mannoseHMDB
2-Acetylamino-delta-2-deoxy-taloseHMDB
2-Acetylamino-L-2-deoxy-galactoseHMDB
2-Acetylamino-L-2-deoxy-mannoseHMDB
a-2-Acetamido-2-deoxy-D-galactoseHMDB
alpha-2-Acetamido-2-deoxy-D-galactoseHMDB
alpha-2-Acetamido-2-deoxy-delta-galactoseHMDB
GalNAcHMDB
N-(2,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamideHMDB
N-Acetyl-a-D-glucosamineHMDB
N-Acetyl-alpha-D-glucosamineHMDB
N-Acetyl-alpha-delta-glucosamineHMDB
N-Acetyl-D-allosamineHMDB
N-Acetyl-D-galactosamineHMDB
N-Acetyl-delta-allosamineHMDB
N-Acetyl-delta-galactosamineHMDB
N-AcetylgalactosaminHMDB
N-AcetylglucosaminHMDB
N-AcetylgluosaminHMDB
N-AcetylmannosaminHMDB
2 Acetamido 2 deoxy D galactoseHMDB
2-Acetamido-2-D-galactopyranoseHMDB
AcetylgalactosamineHMDB
2-Acetamido-2-deoxygalactoseHMDB
N Acetyl D galactosamineHMDB
2 Acetamido 2 D galactopyranoseHMDB
2 Acetamido 2 deoxygalactoseHMDB
2-Acetamido-2-deoxy-D-galactoseHMDB
N-Acetyl-a-D-galactosamineHMDB
N-Acetyl-α-D-galactosamineHMDB
a-N-Acetyl-D-galactosamineHMDB
Α-N-acetyl-D-galactosamineHMDB
Chemical FormulaC8H15NO6
Average Molecular Weight221.2078
Monoisotopic Molecular Weight221.089937217
IUPAC NameN-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Traditional Nameα-GalNAc
CAS Registry Number1811-31-0
SMILES
CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
InChI KeyOVRNDRQMDRJTHS-CBQIKETKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentN-acyl-alpha-hexosamines
Alternative Parents
Substituents
  • N-acyl-alpha-hexosamine
  • Hexose monosaccharide
  • Monosaccharide
  • Oxane
  • Hemiacetal
  • Secondary alcohol
  • Carboximidic acid
  • Carboximidic acid derivative
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Alcohol
  • Organonitrogen compound
  • Organic nitrogen compound
  • Primary alcohol
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point172 - 173 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility254 g/LALOGPS
logP10(-2.6) g/LALOGPS
logP10(-3.2) g/LChemAxon
logS10(0.06) g/LALOGPS
pKa (Strongest Acidic)11.6ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area119.25 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity47.02 m³·mol⁻¹ChemAxon
Polarizability20.58 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+150.15931661259
DarkChem[M-H]-146.93531661259
AllCCS[M+H]+150.00732859911
AllCCS[M-H]-146.24432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-AcetylgalactosamineCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O3657.7Standard polar33892256
N-AcetylgalactosamineCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O2082.8Standard non polar33892256
N-AcetylgalactosamineCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O2104.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Acetylgalactosamine,1TMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O1894.9Semi standard non polar33892256
N-Acetylgalactosamine,1TMS,isomer #2CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O1900.1Semi standard non polar33892256
N-Acetylgalactosamine,1TMS,isomer #3CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O1898.0Semi standard non polar33892256
N-Acetylgalactosamine,1TMS,isomer #4CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C1908.2Semi standard non polar33892256
N-Acetylgalactosamine,1TMS,isomer #5CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)[Si](C)(C)C1835.0Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O1915.8Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #10CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C1897.1Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #2CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O1930.3Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #3CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C1938.6Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #4CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O)[Si](C)(C)C1890.6Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #5CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1939.6Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #6CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C1939.6Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #7CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O)[Si](C)(C)C1911.9Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #8CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1933.2Semi standard non polar33892256
N-Acetylgalactosamine,2TMS,isomer #9CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C1895.9Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2003.5Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #10CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C1967.8Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #2CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2011.5Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #3CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O)[Si](C)(C)C1939.5Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #4CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2016.7Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #5CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C1961.8Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #6CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C1981.0Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #7CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2006.4Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #8CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C1967.9Semi standard non polar33892256
N-Acetylgalactosamine,3TMS,isomer #9CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C1970.5Semi standard non polar33892256
N-Acetylgalactosamine,4TMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2036.2Semi standard non polar33892256
N-Acetylgalactosamine,4TMS,isomer #2CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C2024.8Semi standard non polar33892256
N-Acetylgalactosamine,4TMS,isomer #3CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2040.9Semi standard non polar33892256
N-Acetylgalactosamine,4TMS,isomer #4CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2039.6Semi standard non polar33892256
N-Acetylgalactosamine,4TMS,isomer #5CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2031.3Semi standard non polar33892256
N-Acetylgalactosamine,5TMS,isomer #1CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2092.3Semi standard non polar33892256
N-Acetylgalactosamine,5TMS,isomer #1CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2154.1Standard non polar33892256
N-Acetylgalactosamine,5TMS,isomer #1CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C2100.6Standard polar33892256
N-Acetylgalactosamine,1TBDMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O2151.2Semi standard non polar33892256
N-Acetylgalactosamine,1TBDMS,isomer #2CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2148.3Semi standard non polar33892256
N-Acetylgalactosamine,1TBDMS,isomer #3CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2164.7Semi standard non polar33892256
N-Acetylgalactosamine,1TBDMS,isomer #4CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2166.9Semi standard non polar33892256
N-Acetylgalactosamine,1TBDMS,isomer #5CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2109.9Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2423.5Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #10CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2384.2Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #2CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2439.8Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #3CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2433.2Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #4CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2371.0Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #5CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2427.0Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #6CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2436.0Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #7CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2406.0Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #8CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2423.5Semi standard non polar33892256
N-Acetylgalactosamine,2TBDMS,isomer #9CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C2389.3Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2686.1Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #10CC(=O)N([C@H]1[C@@H](O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2624.3Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #2CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2664.9Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #3CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C2622.2Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #4CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2659.1Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #5CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C2629.1Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #6CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2628.6Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #7CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2682.8Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #8CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C2658.8Semi standard non polar33892256
N-Acetylgalactosamine,3TBDMS,isomer #9CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2650.9Semi standard non polar33892256
N-Acetylgalactosamine,4TBDMS,isomer #1CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2872.7Semi standard non polar33892256
N-Acetylgalactosamine,4TBDMS,isomer #2CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C2860.6Semi standard non polar33892256
N-Acetylgalactosamine,4TBDMS,isomer #3CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2859.4Semi standard non polar33892256
N-Acetylgalactosamine,4TBDMS,isomer #4CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2849.9Semi standard non polar33892256
N-Acetylgalactosamine,4TBDMS,isomer #5CC(=O)N([C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2868.3Semi standard non polar33892256
N-Acetylgalactosamine,5TBDMS,isomer #1CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3101.4Semi standard non polar33892256
N-Acetylgalactosamine,5TBDMS,isomer #1CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3050.3Standard non polar33892256
N-Acetylgalactosamine,5TBDMS,isomer #1CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2705.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0kn9-9510000000-8257171f06e4c704d6c72017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (4 TMS) - 70eV, Positivesplash10-006y-5125900000-2d5a04f77a0106be2e7f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylgalactosamine GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0udr-0970000000-f6d052d0a798e4e2edee2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-003s-9500000000-8dc5f0ece3a66ea3928d2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-001j-9000000000-23b0bbbd1c8a5ad5551e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 20V, Negative-QTOFsplash10-0a4i-9300000000-c5b00d3c0c640460939c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 35V, Negative-QTOFsplash10-0kmi-7690000000-0379d0dd56fec2bed44f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 10V, Negative-QTOFsplash10-0a4i-9510000000-422cde531f065d5e49462021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 40V, Negative-QTOFsplash10-0540-9100000000-0ce448f2f58df56a856d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 20V, Positive-QTOFsplash10-002n-9800000000-ec7209a768c753d477092021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 10V, Positive-QTOFsplash10-000i-2900000000-b13dd76a5e0c01867c4c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 35V, Positive-QTOFsplash10-002u-2900000000-166169863c3bda7fcd022021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 35V, Positive-QTOFsplash10-004u-2900000000-dac77e9deddac603f8782021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 10V, Positive-QTOFsplash10-002u-2910000000-f4490188227492913aee2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 40V, Positive-QTOFsplash10-0f8a-9000000000-95e011521a10f2c0f12a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 20V, Positive-QTOFsplash10-003e-9700000000-8e49c95be0c9d841080f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N-Acetylgalactosamine 40V, Positive-QTOFsplash10-00lv-9000000000-2cc319b93d5874dd29782021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 10V, Positive-QTOFsplash10-00fr-0690000000-76eea9cfdbd489aa104e2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 20V, Positive-QTOFsplash10-0imi-2930000000-440841c73a9eca07c5df2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 40V, Positive-QTOFsplash10-02nm-9600000000-e4f081a779068ec3341c2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 10V, Negative-QTOFsplash10-00dr-8920000000-b0218f0ec55de02b404d2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 20V, Negative-QTOFsplash10-0pb9-9820000000-ecdc02d885b289c2e8452017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 40V, Negative-QTOFsplash10-0a4i-9100000000-582cce650e2eb7e1c0ea2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 10V, Positive-QTOFsplash10-0udi-0390000000-3820a7eec5a8c72f49d92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 20V, Positive-QTOFsplash10-0h90-9740000000-db880363194a3979c6372021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 40V, Positive-QTOFsplash10-0229-9200000000-cdcf015aa799dc7d6d8b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylgalactosamine 10V, Negative-QTOFsplash10-0a4i-9500000000-2c2b09cb6bfb290390852021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Lysosome
  • Golgi apparatus
Biospecimen Locations
  • Feces
  • Saliva
Tissue Locations
  • Adipose Tissue
  • Brain
  • Epidermis
  • Intestine
  • Liver
  • Neuron
  • Pancreas
  • Placenta
  • Prostate
  • Skeletal Muscle
  • Spleen
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Associated OMIM IDs
DrugBank IDDB03567
Phenol Explorer Compound IDNot Available
FooDB IDFDB031022
KNApSAcK IDNot Available
Chemspider ID76020
KEGG Compound IDC01074
BioCyc IDCPD-3604
BiGG ID36880
Wikipedia LinkN-Acetylgalactosamine
METLIN ID5222
PubChem Compound84265
PDB IDNot Available
ChEBI ID40356
Food Biomarker OntologyNot Available
VMH IDACGAL
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceCardini, C. E.; Leloir, Luis F. Enzymic formation of acetylgalactosamine. Journal of Biological Chemistry (1957), 225 317-24.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Mazany KD, Peng T, Watson CE, Tabas I, Williams KJ: Human chondroitin 6-sulfotransferase: cloning, gene structure, and chromosomal localization. Biochim Biophys Acta. 1998 Jul 1;1407(1):92-7. [PubMed:9639683 ]
  2. Zhang Y, Iwasaki H, Wang H, Kudo T, Kalka TB, Hennet T, Kubota T, Cheng L, Inaba N, Gotoh M, Togayachi A, Guo J, Hisatomi H, Nakajima K, Nishihara S, Nakamura M, Marth JD, Narimatsu H: Cloning and characterization of a new human UDP-N-acetyl-alpha-D-galactosamine:polypeptide N-acetylgalactosaminyltransferase, designated pp-GalNAc-T13, that is specifically expressed in neurons and synthesizes GalNAc alpha-serine/threonine antigen. J Biol Chem. 2003 Jan 3;278(1):573-84. Epub 2002 Oct 28. [PubMed:12407114 ]
  3. White T, Bennett EP, Takio K, Sorensen T, Bonding N, Clausen H: Purification and cDNA cloning of a human UDP-N-acetyl-alpha-D-galactosamine:polypeptide N-acetylgalactosaminyltransferase. J Biol Chem. 1995 Oct 13;270(41):24156-65. [PubMed:7592619 ]
  4. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  5. Nakagawa F, Schulte BA, Spicer SS: Lectin cytochemical evaluation of somatosensory neurons and their peripheral and central processes in rat and man. Cell Tissue Res. 1986;245(3):579-89. [PubMed:3757018 ]
  6. Kamakura K, Kaida K, Kusunoki S, Miyamoto N, Masaki T, Nakamura R, Motoyoshi K, Fukuda J: Harmful effects of anti-GalNAc-GD1a antibodies and TNF-alpha on rat dorsal root ganglia. J Peripher Nerv Syst. 2005 Jun;10(2):190-201. [PubMed:15958130 ]
  7. Petri WA Jr, Chaudhry O, Haque R, Houpt E: Adherence-blocking vaccine for amebiasis. Arch Med Res. 2006 Feb;37(2):288-91. [PubMed:16380334 ]
  8. Petry K, Greinix HT, Nudelman E, Eisen H, Hakomori S, Levy HL, Reichardt JK: Characterization of a novel biochemical abnormality in galactosemia: deficiency of glycolipids containing galactose or N-acetylgalactosamine and accumulation of precursors in brain and lymphocytes. Biochem Med Metab Biol. 1991 Aug;46(1):93-104. [PubMed:1931160 ]
  9. Kaida K, Kusunoki S, Kamakura K, Motoyoshi K, Kanazawa I: GalNAc-GD1a in human peripheral nerve: target sites of anti-ganglioside antibody. Neurology. 2003 Aug 26;61(4):465-70. [PubMed:12939418 ]
  10. Gupta D, Sabesan S, Brewer CF: Selective inhibition of N-acetylglucosamine and galactose-specific lectins including the 14-kDa vertebrate lectin by novel synthetic biantennary oligosaccharides. Eur J Biochem. 1993 Sep 15;216(3):789-97. [PubMed:8404897 ]
  11. Sutherlin ME, Nishimori I, Caffrey T, Bennett EP, Hassan H, Mandel U, Mack D, Iwamura T, Clausen H, Hollingsworth MA: Expression of three UDP-N-acetyl-alpha-D-galactosamine:polypeptide GalNAc N-acetylgalactosaminyltransferases in adenocarcinoma cell lines. Cancer Res. 1997 Nov 1;57(21):4744-8. [PubMed:9354435 ]
  12. Kariniemi AL, Virtanen I: Dolichos biflorus agglutinin (DBA) reveals a similar basal cell differentiation in normal and psoriatic epidermis. Histochemistry. 1989;93(2):129-32. [PubMed:2482277 ]
  13. Yuki N: Infectious origins of, and molecular mimicry in, Guillain-Barre and Fisher syndromes. Lancet Infect Dis. 2001 Aug;1(1):29-37. [PubMed:11871407 ]
  14. Tao X, Gao G, Zhang HZ, Zhu DX, Boersma A, Lamblin G, Han KK: Isolation and characterization of human urinary colony-stimulating factor. Biol Chem Hoppe Seyler. 1987 Mar;368(3):187-94. [PubMed:3496105 ]
  15. Hiruma T, Togayachi A, Okamura K, Sato T, Kikuchi N, Kwon YD, Nakamura A, Fujimura K, Gotoh M, Tachibana K, Ishizuka Y, Noce T, Nakanishi H, Narimatsu H: A novel human beta1,3-N-acetylgalactosaminyltransferase that synthesizes a unique carbohydrate structure, GalNAcbeta1-3GlcNAc. J Biol Chem. 2004 Apr 2;279(14):14087-95. Epub 2004 Jan 14. [PubMed:14724282 ]
  16. Chikakiyo H, Kunishige M, Yoshino H, Asano A, Sumitomo Y, Endo I, Matsumoto T, Mitsui T: Delayed motor and sensory neuropathy in a patient with brainstem encephalitis. J Neurol Sci. 2005 Jul 15;234(1-2):105-8. [PubMed:15936038 ]
  17. Roelen HC, Bijsterbosch MK, Bakkeren HF, van Berkel TJ, Kempen HJ, Buytenhek M, van der Marel GA, van Boom JH: Water-soluble cholesteryl-containing phosphorothioate monogalactosides: synthesis, properties, and use in lowering blood cholesterol by directing plasma lipoproteins to the liver. J Med Chem. 1991 Mar;34(3):1036-42. [PubMed:2002447 ]
  18. Smith PL, Bousfield GR, Kumar S, Fiete D, Baenziger JU: Equine lutropin and chorionic gonadotropin bear oligosaccharides terminating with SO4-4-GalNAc and Sia alpha 2,3Gal, respectively. J Biol Chem. 1993 Jan 15;268(2):795-802. [PubMed:8419356 ]
  19. Szkudlinski MW, Thotakura NR, Tropea JE, Grossmann M, Weintraub BD: Asparagine-linked oligosaccharide structures determine clearance and organ distribution of pituitary and recombinant thyrotropin. Endocrinology. 1995 Aug;136(8):3325-30. [PubMed:7628367 ]
  20. Taguchi K, Ren J, Utsunomiya I, Aoyagi H, Fujita N, Ariga T, Miyatake T, Yoshino H: Neurophysiological and immunohistochemical studies on Guillain-Barre syndrome with IgG anti-GalNAc-GD1a antibodies-effects on neuromuscular transmission. J Neurol Sci. 2004 Oct 15;225(1-2):91-8. [PubMed:15465091 ]
  21. Hoyte K, Kang C, Martin PT: Definition of pre- and postsynaptic forms of the CT carbohydrate antigen at the neuromuscular junction: ubiquitous expression of the CT antigens and the CT GalNAc transferase in mouse tissues. Brain Res Mol Brain Res. 2002 Dec 30;109(1-2):146-60. [PubMed:12531524 ]
  22. Brunngraber EG, Brown BD, Aro A: Distribution and age-dependent concentration in brain tissue of glycoproteins containing N-acetylgalactosamine. Neurobiology. 1975 Dec;5(6):339-46. [PubMed:1207868 ]
  23. Maury CP: Carbohydrate patterns of endoscopic mucosal biopsies in cancer of the stomach and chronic gastritis. Clin Chim Acta. 1982 Dec 9;126(2):155-9. [PubMed:7151277 ]
  24. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
  25. (). Pastuszak I, Drake R, Elbein AD. Kidney N-acetylgalactosamine (GalNAc)-1-phosphate kinase, a new pathway of GalNAc activation. J Biol Chem. 1996 Aug 23;271(34):20776-82.. .

Only showing the first 10 proteins. There are 12 proteins in total.

Enzymes

General function:
Involved in galactosyltransferase activity
Specific function:
Transfers N-acetylgalactosamine onto globotriaosylceramide.
Gene Name:
B3GALNT1
Uniprot ID:
O75752
Molecular weight:
39511.55
General function:
Involved in galactokinase activity
Specific function:
Acts on GalNAc. Also acts as a galactokinase when galactose is present at high concentrations. May be involved in a salvage pathway for the reutilization of free GalNAc derived from the degradation of complex carbohydrates.
Gene Name:
GALK2
Uniprot ID:
Q01415
Molecular weight:
49234.57
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
GALNS
Uniprot ID:
P34059
Molecular weight:
Not Available
General function:
Involved in UDP-glucuronic acid transmembrane transport
Specific function:
Transports both UDP-glucuronic acid (UDP-GlcA) and UDP-N-acetylgalactosamine (UDP-GalNAc) from the cytoplasm to into the endoplasmic reticulum lumen. May participate in glucuronidation and/or chondroitin sulfate biosynthesis.
Gene Name:
SLC35D1
Uniprot ID:
Q9NTN3
Molecular weight:
39239.8
General function:
Involved in galactosyltransferase activity
Specific function:
May be involved in keratane sulfate biosynthesis. Transfers N-acetylgalactosamine on to keratan sulfate-related glycans. May play a role in preventing cells from migrating out of the original tissues and invading surrounding tissues
Gene Name:
B3GNT7
Uniprot ID:
Q8NFL0
Molecular weight:
45986.9
General function:
Involved in transferase activity, transferring glycosyl groups
Specific function:
Glycosyltransferase that generates the core 1 O-glycan Gal-beta1-3GalNAc-alpha1-Ser/Thr (T antigen), which is a precursor for many extended O-glycans in glycoproteins. Plays a central role in many processes, such as angiogenesis, thrombopoiesis and kidney homeostasis development.
Gene Name:
C1GALT1
Uniprot ID:
Q9NS00
Molecular weight:
42202.5
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Transfers N-acetylgalactosamine (GalNAc) from UDP-GalNAc to N-acetylglucosamine-beta-benzyl with a beta-1,4-linkage to form N,N'-diacetyllactosediamine, GalNAc-beta-1,4-GlcNAc structures in N-linked glycans and probably O-linked glycans. Mediates the N,N'-diacetyllactosediamine formation on gastric mucosa.
Gene Name:
B4GALNT3
Uniprot ID:
Q6L9W6
Molecular weight:
114974.105
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Transfers N-acetylgalactosamine (GalNAc) from UDP-GalNAc to N-acetylglucosamine-beta-benzyl with a beta-1,4-linkage to form N,N'-diacetyllactosediamine, GalNAc-beta-1,4-GlcNAc structures in N-linked glycans and probably O-linked glycans.
Gene Name:
B4GALNT4
Uniprot ID:
Q76KP1
Molecular weight:
116512.09
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
Involved in the synthesis of the Sd(a) antigen (Sia- alpha2,3-[GalNAc-beta1,4]Gal-beta1,4-GlcNAc), a carbohydrate determinant expressed on erythrocytes, the colonic mucosa and other tissues. Transfers a beta-1,4-linked GalNAc to the galactose residue of an alpha-2,3-sialylated chain
Gene Name:
B4GALNT2
Uniprot ID:
Q8NHY0
Molecular weight:
63257.6
General function:
Involved in catalytic activity
Specific function:
May have a role in promoting tumor progression. May block the TGFB1-enhanced cell growth.
Gene Name:
HYAL1
Uniprot ID:
Q12794
Molecular weight:
Not Available

Only showing the first 10 proteins. There are 12 proteins in total.