Hmdb loader
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2008-10-16 22:24:20 UTC
Update Date2020-11-09 23:18:08 UTC
HMDB IDHMDB0011105
Secondary Accession Numbers
  • HMDB11105
Metabolite Identification
Common Name5-Acetylamino-6-formylamino-3-methyluracil
Description5-Acetylamino-6-formylamino-3-methyluracil, also known as AFMU, belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 5-Acetylamino-6-formylamino-3-methyluracil is an extremely weak basic (essentially neutral) compound (based on its pKa). 5-acetylamino-6-formylamino-3-methyluracil can be biosynthesized from paraxanthine and acetyl-CoA through the action of the enzyme arylamine N-acetyltransferase 2. In humans, 5-acetylamino-6-formylamino-3-methyluracil is involved in caffeine metabolism.
Structure
Data?1582752868
Synonyms
ValueSource
AFMUKegg
Chemical FormulaC8H10N4O4
Average Molecular Weight226.1894
Monoisotopic Molecular Weight226.070204828
IUPAC NameN-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
Traditional NameAFMU
CAS Registry NumberNot Available
SMILES
CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O
InChI Identifier
InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)
InChI KeyRDZNZFGKEVDNPK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct ParentHydroxypyrimidines
Alternative Parents
Substituents
  • Pyrimidone
  • Hydroxypyrimidine
  • Hydropyrimidine
  • Heteroaromatic compound
  • Lactam
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidic acid derivative
  • Carboximidic acid
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
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 Solubility0.53 g/LALOGPS
logP-0.74ALOGPS
logP-2.4ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9.02ChemAxon
pKa (Strongest Basic)-5.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area107.61 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity61.82 m³·mol⁻¹ChemAxon
Polarizability20.46 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]+150.49631661259
DarkChem[M-H]-149.36731661259
DeepCCS[M+H]+140.90730932474
DeepCCS[M-H]-138.51230932474
DeepCCS[M-2H]-173.52930932474
DeepCCS[M+Na]+148.10230932474
AllCCS[M+H]+147.932859911
AllCCS[M+H-H2O]+144.132859911
AllCCS[M+NH4]+151.432859911
AllCCS[M+Na]+152.432859911
AllCCS[M-H]-146.532859911
AllCCS[M+Na-2H]-146.932859911
AllCCS[M+HCOO]-147.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5-Acetylamino-6-formylamino-3-methyluracilCN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O3124.2Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracilCN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O2244.3Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracilCN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O2440.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #1CC(=O)NC1=C(NC=O)N([Si](C)(C)C)C(=O)N(C)C1=O2123.2Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #1CC(=O)NC1=C(NC=O)N([Si](C)(C)C)C(=O)N(C)C1=O2275.1Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #1CC(=O)NC1=C(NC=O)N([Si](C)(C)C)C(=O)N(C)C1=O4237.0Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C)[NH]C(=O)N(C)C1=O2114.0Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C)[NH]C(=O)N(C)C1=O2257.3Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C)[NH]C(=O)N(C)C1=O3958.6Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #3CC(=O)N(C1=C(NC=O)[NH]C(=O)N(C)C1=O)[Si](C)(C)C2062.9Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #3CC(=O)N(C1=C(NC=O)[NH]C(=O)N(C)C1=O)[Si](C)(C)C2202.0Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TMS,isomer #3CC(=O)N(C1=C(NC=O)[NH]C(=O)N(C)C1=O)[Si](C)(C)C3649.1Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #1CC(=O)N(C1=C(NC=O)N([Si](C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C2057.9Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #1CC(=O)N(C1=C(NC=O)N([Si](C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C2250.0Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #1CC(=O)N(C1=C(NC=O)N([Si](C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C3111.4Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N(C)C1=O2103.9Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N(C)C1=O2390.3Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N(C)C1=O3505.9Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #3CC(=O)N(C1=C(N(C=O)[Si](C)(C)C)[NH]C(=O)N(C)C1=O)[Si](C)(C)C1961.3Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #3CC(=O)N(C1=C(N(C=O)[Si](C)(C)C)[NH]C(=O)N(C)C1=O)[Si](C)(C)C2246.7Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TMS,isomer #3CC(=O)N(C1=C(N(C=O)[Si](C)(C)C)[NH]C(=O)N(C)C1=O)[Si](C)(C)C2917.8Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,3TMS,isomer #1CC(=O)N(C1=C(N(C=O)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C2038.0Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,3TMS,isomer #1CC(=O)N(C1=C(N(C=O)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C2350.7Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,3TMS,isomer #1CC(=O)N(C1=C(N(C=O)[Si](C)(C)C)N([Si](C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C2604.2Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #1CC(=O)NC1=C(NC=O)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O2371.0Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #1CC(=O)NC1=C(NC=O)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O2516.8Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #1CC(=O)NC1=C(NC=O)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O4079.4Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C(C)(C)C)[NH]C(=O)N(C)C1=O2369.2Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C(C)(C)C)[NH]C(=O)N(C)C1=O2467.6Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C(C)(C)C)[NH]C(=O)N(C)C1=O3956.3Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #3CC(=O)N(C1=C(NC=O)[NH]C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2316.5Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #3CC(=O)N(C1=C(NC=O)[NH]C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2416.6Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,1TBDMS,isomer #3CC(=O)N(C1=C(NC=O)[NH]C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C3559.2Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #1CC(=O)N(C1=C(NC=O)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2536.6Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #1CC(=O)N(C1=C(NC=O)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2680.0Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #1CC(=O)N(C1=C(NC=O)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C3068.2Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O2559.7Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O2770.5Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #2CC(=O)NC1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O3415.8Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #3CC(=O)N(C1=C(N(C=O)[Si](C)(C)C(C)(C)C)[NH]C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2430.8Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #3CC(=O)N(C1=C(N(C=O)[Si](C)(C)C(C)(C)C)[NH]C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2647.4Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,2TBDMS,isomer #3CC(=O)N(C1=C(N(C=O)[Si](C)(C)C(C)(C)C)[NH]C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C3014.6Standard polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,3TBDMS,isomer #1CC(=O)N(C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2710.6Semi standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,3TBDMS,isomer #1CC(=O)N(C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2919.5Standard non polar33892256
5-Acetylamino-6-formylamino-3-methyluracil,3TBDMS,isomer #1CC(=O)N(C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(=O)N(C)C1=O)[Si](C)(C)C(C)(C)C2884.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil GC-MS (Non-derivatized) - 70eV, Positivesplash10-02aj-0920000000-16da22a4333f0fee75102017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 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 - 5-Acetylamino-6-formylamino-3-methyluracil 10V, Positive-QTOFsplash10-0002-0920000000-d1d7f82a38e95c7a5d712016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 20V, Positive-QTOFsplash10-0002-1900000000-c5b7ff32f7d7232722622016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 40V, Positive-QTOFsplash10-00vi-9800000000-9ba04a2c080cb26d95802016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 10V, Negative-QTOFsplash10-003r-2930000000-71c3ffa165db7a3dcefc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 20V, Negative-QTOFsplash10-056s-9510000000-29be496cfae1206b4aca2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 40V, Negative-QTOFsplash10-052e-9200000000-495d6d6c6250fa9327892016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 10V, Negative-QTOFsplash10-004i-0690000000-658567676e57020714e92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 20V, Negative-QTOFsplash10-00b9-1940000000-789cdf4b76626764efa92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 40V, Negative-QTOFsplash10-054o-9600000000-0705af1d271c7f17eb522021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 10V, Positive-QTOFsplash10-004i-0090000000-6b8ae8af662931f42fef2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 20V, Positive-QTOFsplash10-004i-0490000000-85e2c374dc15bd2df5a82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Acetylamino-6-formylamino-3-methyluracil 40V, Positive-QTOFsplash10-00di-9300000000-e2d5febf1fd250c4214f2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified5.11 +/- 0.11 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal adenoma
details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB027888
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC16365
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound108214
PDB IDNot Available
ChEBI IDNot Available
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 acetyltransferase activity
Specific function:
Participates in the detoxification of a plethora of hydrazine and arylamine drugs. Catalyzes the N- or O-acetylation of various arylamine and heterocyclic amine substrates and is able to bioactivate several known carcinogens.
Gene Name:
NAT1
Uniprot ID:
P18440
Molecular weight:
33898.445
Reactions
Paraxanthine → 5-Acetylamino-6-formylamino-3-methyluracildetails
General function:
Involved in acetyltransferase activity
Specific function:
Participates in the detoxification of a plethora of hydrazine and arylamine drugs. Catalyzes the N- or O-acetylation of various arylamine and heterocyclic amine substrates and is able to bioactivate several known carcinogens.
Gene Name:
NAT2
Uniprot ID:
P11245
Molecular weight:
33570.245
Reactions
Paraxanthine → 5-Acetylamino-6-formylamino-3-methyluracildetails
General function:
Involved in acetyltransferase activity
Specific function:
Not Available
Gene Name:
NAT2
Uniprot ID:
A4Z6T7
Molecular weight:
33570.2