Record Information
Version1.0
Creation date2011-09-21 00:04:56 UTC
Update date2020-04-21 18:02:02 UTC
Primary IDFDB021906
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameN-Acetylgalactosamine
DescriptionAcetylgalactosamine 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. (PMID 1207868) Acetylgalactosamine patterns of the composition of the soluble glycoproteins from endoscopic mucosal biopsies tends to decrease in the tumor area in cancer of the stomach (compared with the antrum and corpus of control stomachs). (PMID: 7151277) Chondroitin 6-sulfotransferase (C6ST) is the key enzyme in the biosynthesis of chondroitin 6-sulfate, a glycosaminoglycan implicated in chondrogenesis, neoplasia, atherosclerosis, and other processes. C6ST catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate to carbon 6 of the N- Acetylgalactosamine residues of chondroitin. (PMID: 9639683) [HMDB]. N-Acetylgalactosamine is found in many foods, some of which are conch, ceylon cinnamon, enokitake, and watermelon.
CAS Number1811-31-0
Structure
Thumb
Synonyms
SynonymSource
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
2-(acetylamino)-2-Deoxy-a-D-galactopyranoseGenerator
2-(acetylamino)-2-Deoxy-alpha-D-galactopyranoseChEBI
2-(acetylamino)-2-Deoxy-α-D-galactopyranoseGenerator
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-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-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
N-(2,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamidehmdb
N-acetyl-a-D-glucosaminehmdb
N-Acetyl-alpha-D-galactosamineChEBI
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-acetylgalactosaminehmdb
Tn antigen saccharideChEBI
Tn antigen saccharide componentChEBI
Tn saccharideChEBI
Tn saccharide componentChEBI
α-galnacGenerator
α-galpnacGenerator
Predicted Properties
PropertyValueSource
Water Solubility254 g/LALOGPS
logP-2.6ALOGPS
logP-3.2ChemAxon
logS0.06ALOGPS
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
Chemical FormulaC8H15NO6
IUPAC nameN-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI IdentifierInChI=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
Isomeric SMILESCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
Average Molecular Weight221.2078
Monoisotopic Molecular Weight221.089937217
Classification
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
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSN-Acetylgalactosamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0kn9-9510000000-8257171f06e4c704d6c7Spectrum
Predicted GC-MSN-Acetylgalactosamine, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-006y-5125900000-2d5a04f77a0106be2e7fSpectrum
Predicted GC-MSN-Acetylgalactosamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_1_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_1_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_1_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_8, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_9, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_2_10, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_3_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_3_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_3_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_3_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_3_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_3_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSN-Acetylgalactosamine, TMS_3_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-0udr-0970000000-f6d052d0a798e4e2edee2012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-003s-9500000000-8dc5f0ece3a66ea3928d2012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-001j-9000000000-23b0bbbd1c8a5ad5551e2012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9300000000-c5b00d3c0c640460939c2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 35V, Negativesplash10-0kmi-7690000000-0379d0dd56fec2bed44f2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9510000000-422cde531f065d5e49462021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 40V, Negativesplash10-0540-9100000000-0ce448f2f58df56a856d2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 20V, Positivesplash10-002n-9800000000-ec7209a768c753d477092021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 10V, Positivesplash10-000i-2900000000-b13dd76a5e0c01867c4c2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 35V, Positivesplash10-002u-2900000000-166169863c3bda7fcd022021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 35V, Positivesplash10-004u-2900000000-dac77e9deddac603f8782021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 10V, Positivesplash10-002u-2910000000-f4490188227492913aee2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 40V, Positivesplash10-0f8a-9000000000-95e011521a10f2c0f12a2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 20V, Positivesplash10-003e-9700000000-8e49c95be0c9d841080f2021-09-20View Spectrum
MS/MSLC-MS/MS Spectrum - 40V, Positivesplash10-00lv-9000000000-2cc319b93d5874dd29782021-09-20View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00fr-0690000000-76eea9cfdbd489aa104e2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0imi-2930000000-440841c73a9eca07c5df2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-02nm-9600000000-e4f081a779068ec3341c2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00dr-8920000000-b0218f0ec55de02b404d2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0pb9-9820000000-ecdc02d885b289c2e8452017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9100000000-582cce650e2eb7e1c0ea2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0390000000-3820a7eec5a8c72f49d92021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0h90-9740000000-db880363194a3979c6372021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0229-9200000000-cdcf015aa799dc7d6d8b2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9500000000-2c2b09cb6bfb290390852021-09-24View Spectrum
NMR
TypeDescriptionView
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)Spectrum
1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Spectrum
ChemSpider ID76020
ChEMBL IDNot Available
KEGG Compound IDC01074
Pubchem Compound ID84265
Pubchem Substance IDNot Available
ChEBI ID17411
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00212
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID36880
KNApSAcK IDNot Available
HET IDA2G
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDN-Acetylgalactosamine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
N-acetylgalactosamine kinaseGALK2Q01415
Beta-1,4-N-acetylgalactosaminyltransferase 3B4GALNT3Q6L9W6
N-acetyl-beta-glucosaminyl-glycoprotein 4-beta-N-acetylgalactosaminyltransferase 1B4GALNT4Q76KP1
Hyaluronidase-1HYAL1Q12794
Hyaluronidase PH-20SPAM1P38567
Hyaluronidase-2HYAL2Q12891
UDP-glucuronic acid/UDP-N-acetylgalactosamine transporterSLC35D1Q9NTN3
UDP-GlcNAc:betaGal beta-1,3-N-acetylglucosaminyltransferase 7B3GNT7Q8NFL0
Beta-1,4 N-acetylgalactosaminyltransferase 2B4GALNT2Q8NHY0
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference