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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2022-03-07 03:17:34 UTC
HMDB IDHMDB0059626
Secondary Accession Numbers
  • HMDB59626
Metabolite Identification
Common NameN-acetyl-alpha-D-galactosamine 1-phosphate
DescriptionN-acetyl-alpha-D-galactosamine 1-phosphate 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-acetyl-alpha-D-galactosamine 1-phosphate is a moderately basic compound (based on its pKa).
Structure
Data?1563865957
Synonyms
ValueSource
2-Acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranoseChEBI
2-Acetamido-2-deoxy-1-O-phosphono-a-D-galactopyranoseGenerator
2-Acetamido-2-deoxy-1-O-phosphono-α-D-galactopyranoseGenerator
N-Acetyl-a-D-galactosamine 1-phosphateGenerator
N-Acetyl-a-D-galactosamine 1-phosphoric acidGenerator
N-Acetyl-alpha-D-galactosamine 1-phosphoric acidGenerator
N-Acetyl-α-D-galactosamine 1-phosphateGenerator
N-Acetyl-α-D-galactosamine 1-phosphoric acidGenerator
Chemical FormulaC8H16NO9P
Average Molecular Weight301.1877
Monoisotopic Molecular Weight301.056267627
IUPAC NameN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phosphonooxy)oxan-3-yl]ethanimidic acid
Traditional NameN-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phosphonooxy)oxan-3-yl]ethanimidic acid
CAS Registry NumberNot Available
SMILES
CC(O)=N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O
InChI Identifier
InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
InChI KeyFZLJPEPAYPUMMR-JAJWTYFOSA-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 phosphate
  • Monoalkyl phosphate
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Acetamide
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxamide group
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Oxacycle
  • Primary alcohol
  • Carbonyl group
  • Organonitrogen compound
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility24.3 g/LALOGPS
logP-2.3ALOGPS
logP-3.3ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)0.79ChemAxon
pKa (Strongest Basic)1.59ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area169.27 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity58.42 m³·mol⁻¹ChemAxon
Polarizability25.18 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+167.86231661259
DarkChem[M-H]-161.51531661259
DeepCCS[M+H]+162.02330932474
DeepCCS[M-H]-159.62730932474
DeepCCS[M-2H]-193.34730932474
DeepCCS[M+Na]+167.95430932474
AllCCS[M+H]+165.232859911
AllCCS[M+H-H2O]+161.932859911
AllCCS[M+NH4]+168.232859911
AllCCS[M+Na]+169.032859911
AllCCS[M-H]-158.532859911
AllCCS[M+Na-2H]-158.732859911
AllCCS[M+HCOO]-158.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-acetyl-alpha-D-galactosamine 1-phosphateCC(O)=N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O3408.4Standard polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphateCC(O)=N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O2436.0Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphateCC(O)=N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O2585.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-acetyl-alpha-D-galactosamine 1-phosphate,1TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O)O[Si](C)(C)C2307.9Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TMS,isomer #2CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C2300.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TMS,isomer #3CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O2275.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TMS,isomer #4CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O2290.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O2306.9Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C2317.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #10CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O2284.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #11CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O2302.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C2315.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2323.4Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O)O[Si](C)(C)C2352.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2291.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #6CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2271.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #7CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C2301.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #8CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2272.1Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TMS,isomer #9CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O2272.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C2285.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #10CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2303.7Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #11CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C2318.7Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #12CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2301.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #13CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O2308.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #14CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O2276.1Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2285.9Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C2292.7Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2284.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #5CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C2309.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #6CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2310.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #7CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O)O[Si](C)(C)C2289.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #8CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2293.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TMS,isomer #9CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2313.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2280.0Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #10CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2349.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #11CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O2353.0Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C2305.4Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2301.7Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C2275.1Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #5CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2317.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #6CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C2334.9Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #7CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2333.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #8CC(O)=N[C@H]1[C@@H](OP(=O)(O)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)C2342.1Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TMS,isomer #9CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C2352.7Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C2330.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C2361.0Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C2337.9Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C2394.3Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2333.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2393.1Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2342.4Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C2362.2Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)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)C2399.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)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)C2382.9Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,6TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)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)O[Si](C)(C)C2398.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,6TMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)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)O[Si](C)(C)C2414.0Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TBDMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C2556.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TBDMS,isomer #2CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2528.4Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TBDMS,isomer #3CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2500.9Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TBDMS,isomer #4CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2518.9Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,1TBDMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O2544.1Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C2714.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #10CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2722.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #11CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O2749.4Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)O[Si](C)(C)C(C)(C)C2706.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2719.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C2768.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2716.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #6CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2698.1Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #7CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2730.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #8CC(O)=N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2706.1Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,2TBDMS,isomer #9CC(O)=N[C@H]1[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2712.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C2914.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #10CC(O)=N[C@H]1[C@@H](OP(=O)(O)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)C2917.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #11CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2932.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #12CC(O)=N[C@H]1[C@@H](OP(=O)(O)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]1O2925.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #13CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2931.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #14CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2921.4Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C2913.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C2932.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C2902.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #5CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C2940.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #6CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C2935.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #7CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C2943.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #8CC(O)=N[C@H]1[C@@H](OP(=O)(O)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)C2928.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,3TBDMS,isomer #9CC(O)=N[C@H]1[C@@H](OP(=O)(O)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)C2932.8Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C3115.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #10CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)C3117.0Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #11CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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]1O3122.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C3130.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C3118.2Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3118.7Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #5CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C3119.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #6CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3153.0Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #7CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3132.3Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #8CC(O)=N[C@H]1[C@@H](OP(=O)(O)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)C3119.6Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,4TBDMS,isomer #9CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)C3118.7Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C3314.0Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #1CC(=N[C@H]1[C@@H](OP(=O)(O)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)O[Si](C)(C)C(C)(C)C3207.5Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3318.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #2CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3205.0Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3301.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #3CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3194.3Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3298.5Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #4CC(=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)O[Si](C)(C)C(C)(C)C3182.2Standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)C3301.0Semi standard non polar33892256
N-acetyl-alpha-D-galactosamine 1-phosphate,5TBDMS,isomer #5CC(O)=N[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)C3206.6Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-007k-9130000000-bb2cd550345ad32c04cd2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate GC-MS (4 TMS) - 70eV, Positivesplash10-00fs-7121190000-08a7d089badad39cccec2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 10V, Positive-QTOFsplash10-0udi-1095000000-530371fec038054324722017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 20V, Positive-QTOFsplash10-0f7k-7390000000-079de5080ed39219d7612017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 40V, Positive-QTOFsplash10-0f6t-9520000000-91c020c1365fc61fa0362017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 10V, Negative-QTOFsplash10-002k-9201000000-c19e21d58067e10c86472017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 20V, Negative-QTOFsplash10-004i-9110000000-e2959c743b31467efea72017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-87916e73e87bfbaea57e2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 10V, Positive-QTOFsplash10-0udi-0269000000-d7cbe5f5a78aadd7edd62021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 20V, Positive-QTOFsplash10-0udi-0569000000-450e58a9114c321c81ad2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 40V, Positive-QTOFsplash10-0fk9-6900000000-bfa5a43b0a970abf4b362021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 10V, Negative-QTOFsplash10-0udi-1029000000-0a73961823389cb767a82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 20V, Negative-QTOFsplash10-004i-9021000000-bc2710d02ca965e954c12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-acetyl-alpha-D-galactosamine 1-phosphate 40V, Negative-QTOFsplash10-004j-9000000000-15fc873e4744b09ee8e32021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC18060
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4369589
PDB IDNG1
ChEBI ID44313
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in nucleotidyltransferase activity
Specific function:
Converts UDP and GlcNAc-1-P into UDP-GlcNAc, and UDP and GalNAc-1-P into UDP-GalNAc. Isoform AGX1 has 2 to 3 times higher activity towards GalNAc-1-P, while isoform AGX2 has 8 times more activity towards GlcNAc-1-P.
Gene Name:
UAP1
Uniprot ID:
Q16222
Molecular weight:
57027.91
Reactions
Uridine triphosphate + N-acetyl-alpha-D-galactosamine 1-phosphate → Pyrophosphate + UDP-N-acetyl-alpha-D-galactosaminedetails
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
Reactions
Adenosine triphosphate + N-Acetyl-b-D-galactosamine → ADP + N-acetyl-alpha-D-galactosamine 1-phosphatedetails