Bovine Metabolome Database: Showing metabocard for N-Acetylgalactosamine (BMDB0000212)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References enzymes (4) Show 4 proteins XML

Record Information

Version

1.0

Creation Date

2016-09-30 22:26:48 UTC

Update Date

2020-06-04 20:21:31 UTC

BMDB ID

BMDB0000212

Secondary Accession Numbers

BMDB00212

Metabolite Identification

Common Name

N-Acetylgalactosamine

Description

N-Acetylgalactosamine, also known as Tn or alpha-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 exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(Acetylamino)-2-deoxy-alpha-D-galactopyranose	ChEBI
alpha-GalNAc	ChEBI
alpha-GalpNAc	ChEBI
GalNAc-alpha	ChEBI
Tn	ChEBI
TN Antigen saccharide	ChEBI
TN Antigen saccharide component	ChEBI
TN Saccharide	ChEBI
TN Saccharide component	ChEBI
2-(Acetylamino)-2-deoxy-a-D-galactopyranose	Generator
2-(Acetylamino)-2-deoxy-α-D-galactopyranose	Generator
a-GalNAc	Generator
Α-galnac	Generator
a-GalpNAc	Generator
Α-galpnac	Generator
GalNAc-a	Generator
GalNAc-α	Generator
2-Acetamido-2-deoxy-a-D-allopyranose	HMDB
2-Acetamido-2-deoxy-a-D-glucopyranose	HMDB
2-Acetamido-2-deoxy-alpha-D-allopyranose	HMDB
2-Acetamido-2-deoxy-alpha-D-glucopyranose	HMDB
2-Acetamido-2-deoxy-alpha-delta-allopyranose	HMDB
2-Acetamido-2-deoxy-alpha-delta-glucopyranose	HMDB
2-Acetamido-2-deoxy-b-D-glucopyranose	HMDB
2-Acetamido-2-deoxy-beta-D-glucopyranose	HMDB
2-Acetamido-2-deoxy-beta-delta-glucopyranose	HMDB
2-Acetamido-2-desoxy-b-D-talofuranose	HMDB
2-Acetamido-2-desoxy-beta-D-talofuranose	HMDB
2-Acetamido-2-desoxy-beta-delta-talofuranose	HMDB
2-Acetamino-2-deoxy-a-D-glucose	HMDB
2-Acetamino-2-deoxy-alpha-D-glucose	HMDB
2-Acetamino-2-deoxy-alpha-delta-glucose	HMDB
2-Acetamino-2-desoxy-a-D-glucopyranose	HMDB
2-Acetamino-2-desoxy-alpha-D-glucopyranose	HMDB
2-Acetamino-2-desoxy-alpha-delta-glucopyranose	HMDB
2-Acetamino-2-desoxy-D-galaktose	HMDB
2-Acetamino-2-desoxy-D-glucose	HMDB
2-Acetamino-2-desoxy-delta-galaktose	HMDB
2-Acetamino-2-desoxy-delta-glucose	HMDB
2-Acetylamino-2-deoxy-a-D-galactopyranose	HMDB
2-Acetylamino-2-deoxy-a-D-glucopyranose	HMDB
2-Acetylamino-2-deoxy-a-D-mannopyranose	HMDB
2-Acetylamino-2-deoxy-alpha-D-galactopyranose	HMDB
2-Acetylamino-2-deoxy-alpha-D-glucopyranose	HMDB
2-Acetylamino-2-deoxy-alpha-D-mannopyranose	HMDB
2-Acetylamino-2-deoxy-alpha-delta-galactopyranose	HMDB
2-Acetylamino-2-deoxy-alpha-delta-glucopyranose	HMDB
2-Acetylamino-2-deoxy-alpha-delta-mannopyranose	HMDB
2-Acetylamino-2-deoxy-b-D-allopyranose	HMDB
2-Acetylamino-2-deoxy-b-D-altropyranose	HMDB
2-Acetylamino-2-deoxy-b-D-galactopyranose	HMDB
2-Acetylamino-2-deoxy-b-D-glucopyranose	HMDB
2-Acetylamino-2-deoxy-b-D-mannopyranose	HMDB
2-Acetylamino-2-deoxy-beta-D-allopyranose	HMDB
2-Acetylamino-2-deoxy-beta-D-altropyranose	HMDB
2-Acetylamino-2-deoxy-beta-D-galactopyranose	HMDB
2-Acetylamino-2-deoxy-beta-D-glucopyranose	HMDB
2-Acetylamino-2-deoxy-beta-D-mannopyranose	HMDB
2-Acetylamino-2-deoxy-beta-delta-allopyranose	HMDB
2-Acetylamino-2-deoxy-beta-delta-altropyranose	HMDB
2-Acetylamino-2-deoxy-beta-delta-galactopyranose	HMDB
2-Acetylamino-2-deoxy-beta-delta-glucopyranose	HMDB
2-Acetylamino-2-deoxy-beta-delta-mannopyranose	HMDB
2-Acetylamino-2-desoxy-a-D-galaktose	HMDB
2-Acetylamino-2-desoxy-a-D-mannose	HMDB
2-Acetylamino-2-desoxy-alpha-D-galaktose	HMDB
2-Acetylamino-2-desoxy-alpha-D-mannose	HMDB
2-Acetylamino-2-desoxy-alpha-delta-galaktose	HMDB
2-Acetylamino-2-desoxy-alpha-delta-mannose	HMDB
2-Acetylamino-2-desoxy-b-D-galaktose	HMDB
2-Acetylamino-2-desoxy-b-D-mannose	HMDB
2-Acetylamino-2-desoxy-beta-D-galaktose	HMDB
2-Acetylamino-2-desoxy-beta-D-mannose	HMDB
2-Acetylamino-2-desoxy-beta-delta-galaktose	HMDB
2-Acetylamino-2-desoxy-beta-delta-mannose	HMDB
2-Acetylamino-2-desoxy-D-mannose	HMDB
2-Acetylamino-2-desoxy-delta-mannose	HMDB
2-Acetylamino-2-desoxy-DL-glucopyranose	HMDB
2-Acetylamino-a-D-2-deoxy-galactopyranose	HMDB
2-Acetylamino-a-D-2-deoxy-glucopyranose	HMDB
2-Acetylamino-a-D-2-deoxy-glucose	HMDB
2-Acetylamino-a-D-2-deoxy-mannopyranose	HMDB
2-Acetylamino-alpha-D-2-deoxy-galactopyranose	HMDB
2-Acetylamino-alpha-D-2-deoxy-glucopyranose	HMDB
2-Acetylamino-alpha-D-2-deoxy-glucose	HMDB
2-Acetylamino-alpha-D-2-deoxy-mannopyranose	HMDB
2-Acetylamino-alpha-delta-2-deoxy-galactopyranose	HMDB
2-Acetylamino-alpha-delta-2-deoxy-glucopyranose	HMDB
2-Acetylamino-alpha-delta-2-deoxy-glucose	HMDB
2-Acetylamino-alpha-delta-2-deoxy-mannopyranose	HMDB
2-Acetylamino-b-D-2-deoxy-galactopyranose	HMDB
2-Acetylamino-b-D-2-deoxy-glucopyranose	HMDB
2-Acetylamino-b-D-2-deoxy-mannopyranose	HMDB
2-Acetylamino-beta-D-2-deoxy-galactopyranose	HMDB
2-Acetylamino-beta-D-2-deoxy-glucopyranose	HMDB
2-Acetylamino-beta-D-2-deoxy-mannopyranose	HMDB
2-Acetylamino-beta-delta-2-deoxy-galactopyranose	HMDB
2-Acetylamino-beta-delta-2-deoxy-glucopyranose	HMDB
2-Acetylamino-beta-delta-2-deoxy-mannopyranose	HMDB
2-Acetylamino-D-2-deoxy-galactose	HMDB
2-Acetylamino-D-2-deoxy-glucose	HMDB
2-Acetylamino-D-2-deoxy-gulose	HMDB
2-Acetylamino-D-2-deoxy-idose	HMDB
2-Acetylamino-D-2-deoxy-mannose	HMDB
2-Acetylamino-D-2-deoxy-talose	HMDB
2-Acetylamino-delta-2-deoxy-galactose	HMDB
2-Acetylamino-delta-2-deoxy-glucose	HMDB
2-Acetylamino-delta-2-deoxy-gulose	HMDB
2-Acetylamino-delta-2-deoxy-idose	HMDB
2-Acetylamino-delta-2-deoxy-mannose	HMDB
2-Acetylamino-delta-2-deoxy-talose	HMDB
2-Acetylamino-L-2-deoxy-galactose	HMDB
2-Acetylamino-L-2-deoxy-mannose	HMDB
a-2-Acetamido-2-deoxy-D-galactose	HMDB
alpha-2-Acetamido-2-deoxy-D-galactose	HMDB
alpha-2-Acetamido-2-deoxy-delta-galactose	HMDB
GalNAc	HMDB
N-(2,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamide	HMDB
N-Acetyl-a-D-glucosamine	HMDB
N-Acetyl-alpha-D-glucosamine	HMDB
N-Acetyl-alpha-delta-glucosamine	HMDB
N-Acetyl-D-allosamine	HMDB
N-Acetyl-D-galactosamine	HMDB
N-Acetyl-delta-allosamine	HMDB
N-Acetyl-delta-galactosamine	HMDB
N-Acetylgalactosamin	HMDB
N-Acetylglucosamin	HMDB
N-Acetylgluosamin	HMDB
N-Acetylmannosamin	HMDB
2 Acetamido 2 deoxy D galactose	HMDB
2-Acetamido-2-D-galactopyranose	HMDB
Acetylgalactosamine	HMDB
2-Acetamido-2-deoxygalactose	HMDB
N Acetyl D galactosamine	HMDB
2 Acetamido 2 D galactopyranose	HMDB
2 Acetamido 2 deoxygalactose	HMDB
2-Acetamido-2-deoxy-D-galactose	HMDB
N-Acetyl-a-D-galactosamine	HMDB
N-Acetyl-α-D-galactosamine	HMDB
a-N-Acetyl-D-galactosamine	HMDB
Α-N-acetyl-D-galactosamine	HMDB

Chemical Formula

C₈H₁₅NO₆

Average Molecular Weight

221.2078

Monoisotopic Molecular Weight

221.089937217

IUPAC Name

N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Traditional Name

α-GalNAc

CAS Registry Number

1811-31-0

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 Key

OVRNDRQMDRJTHS-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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-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 Framework

Aliphatic heteromonocyclic compounds

External Descriptors

N-acetyl-D-galactosamine (CHEBI:40356 )

Ontology

Status

Detected and Quantified

Origin

Endogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Golgi
Lysosome
Myelin sheath

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	172 - 173 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-2.6	ALOGPS
logP	-3.2	ChemAxon
logS	0.06	ALOGPS
pKa (Strongest Acidic)	11.6	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	119.25 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	47.02 m³·mol⁻¹	ChemAxon
Polarizability	20.58 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0kn9-9510000000-8257171f06e4c704d6c7	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-006y-5125900000-2d5a04f77a0106be2e7f	View in MoNA
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_3) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_5) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 70eV, Positive	Not Available	View in JSpectraViewer
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_7) - 70eV, Positive	Not Available	View in JSpectraViewer
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0udr-0970000000-f6d052d0a798e4e2edee	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-003s-9500000000-8dc5f0ece3a66ea3928d	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-001j-9000000000-23b0bbbd1c8a5ad5551e	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-9300000000-c5b00d3c0c640460939c	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-0kmi-7690000000-0379d0dd56fec2bed44f	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-9510000000-422cde531f065d5e4946	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0540-9100000000-0ce448f2f58df56a856d	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-002n-9800000000-ec7209a768c753d47709	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-000i-2900000000-b13dd76a5e0c01867c4c	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-002u-2900000000-166169863c3bda7fcd02	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-004u-2900000000-dac77e9deddac603f878	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-002u-2910000000-f4490188227492913aee	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0f8a-9000000000-95e011521a10f2c0f12a	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-003e-9700000000-8e49c95be0c9d841080f	View in MoNA
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-00lv-9000000000-2cc319b93d5874dd2978	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00fr-0690000000-76eea9cfdbd489aa104e	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0imi-2930000000-440841c73a9eca07c5df	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-02nm-9600000000-e4f081a779068ec3341c	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00dr-8920000000-b0218f0ec55de02b404d	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0pb9-9820000000-ecdc02d885b289c2e845	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9100000000-582cce650e2eb7e1c0ea	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0390000000-3820a7eec5a8c72f49d9	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0h90-9740000000-db880363194a3979c637	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0229-9200000000-cdcf015aa799dc7d6d8b	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-9500000000-2c2b09cb6bfb29039085	View in MoNA
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	View in JSpectraViewer
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	Not Available	View in JSpectraViewer

Biological Properties

Cellular Locations

Golgi
Lysosome
Myelin sheath

Biospecimen Locations

Adipose Tissue
Brain
Epidermis
Intestine
Liver
Mammary Gland
Milk
Neuron
Pancreas
Placenta
Prostate Tissue
Skeletal Muscle
Spleen
Testis

Pathways

Not Available

Name	SMPDB/Pathwhiz	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Adipose Tissue	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Brain	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Epidermis	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Intestine	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Liver	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	PMID: 31873721	details
Liver	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	PMID: 31873721	details
Mammary Gland	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	PMID: 31873721	details
Mammary Gland	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	PMID: 31873721	details
Milk	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	PMID: 23438684	details
Milk	Detected and Quantified	158.222 (126.578-370.692) uM	Not Specified	Not Specified	Normal	Esperanza Troyano...	details
Neuron	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Pancreas	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Placenta	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Prostate Tissue	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Skeletal Muscle	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Spleen	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Testis	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details

Abnormal Concentrations

Not Available

External Links

HMDB ID

HMDB0000212

DrugBank ID

DB03567

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB031022

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

N-Acetylgalactosamine

METLIN ID

5222

PubChem Compound

84265

PDB ID

Not Available

ChEBI ID

40356

References

Synthesis Reference

Cardini, C. E.; Leloir, Luis F. Enzymic formation of acetylgalactosamine. Journal of Biological Chemistry (1957), 225 317-24.

Material Safety Data Sheet (MSDS)

Not Available

General References

Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. [PubMed:23438684 ]

Enzymes

Enzyme Details

1. Polypeptide N-acetylgalactosaminyltransferase 6

General function:: Cell wall/membrane/envelope biogenesis
Specific function:: Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor. May participate in synthesis of oncofetal fibronectin. Has activity toward Muc1a, Muc2, EA2 and fibronectin peptides (By similarity).
Gene Name:: GALNT6
Uniprot ID:: Q5EA41
Molecular weight:: 71138.0

Enzyme Details

2. Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

General function:: Involved in glycoprotein-N-acetylgalactosamine 3-beta-g
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 (By similarity).
Gene Name:: C1GALT1
Uniprot ID:: Q0VC84
Molecular weight:: 43041.0

Enzyme Details

3. Collectin-12

General function:: Secondary metabolites biosynthesis, transport and catabolism
Specific function:: Scavenger receptor that displays several functions associated with host defense. Promotes binding and phagocytosis of Gram-positive, Gram-negative bacteria and yeast. Mediates the recognition, internalization and degradation of oxidatively modified low density lipoprotein (oxLDL) by vascular endothelial cells. Binds to several carbohydrates including Gal-type ligands, D-galactose, L- and D-fucose, GalNAc, T and Tn antigens in a calcium-dependent manner and internalizes specifically GalNAc in nurse-like cells. Binds also to sialyl Lewis X or a trisaccharide and asialo-orosomucoid (ASOR) (By similarity).
Gene Name:: COLEC12
Uniprot ID:: A6QP79
Molecular weight:: 81751.0

Enzyme Details

4. Collectin-43

General function:: Carbohydrate transport and metabolism
Specific function:: Lectin that binds to various sugars: mannose = ManNAc > fucose > GlcNAc > glucose = maltose > galactose > lactose > GalNAc. Could play a role in immune defense.
Gene Name:: CL43
Uniprot ID:: P42916
Molecular weight:: 33616.0

Showing metabocard for N-Acetylgalactosamine (BMDB0000212)

Structure for BMDB0000212 (N-Acetylgalactosamine)

Enzymes