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Showing metabocard for N,N'-Diacetylhydrazine (HMDB0060496)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (2) Show 2 proteinsXML
enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:25:00 UTC
Update Date2019-07-23 07:14:28 UTC
HMDB IDHMDB0060496
Secondary Accession Numbers
  • HMDB60496
Metabolite Identification
Common NameN,N'-Diacetylhydrazine
DescriptionN,N'-Diacetylhydrazine belongs to the class of organic compounds known as azines. These are hydrazine derivatives in which the hydrazine group is conjugated to two aldehydes (forming aldazines) or ketones (forming ketazines). N,N'-Diacetylhydrazine is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563866068
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0060496 (N,N'-Diacetylhydrazine)

 
  Mrv1652303111921022D          

  8  7  0  0  0  0            999 V2000
   25.7926  -17.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5155  -16.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5123  -15.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2315  -17.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0738  -16.6300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3574  -17.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3605  -17.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6525  -16.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
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3D MOL for HMDB0060496 (N,N'-Diacetylhydrazine)

HMDB0060496
     RDKit          3D
N,N'-Diacetylhydrazine
 16 15  0  0  0  0  0  0  0  0999 V2000
    2.1397    0.8562    0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.1123   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180   -1.0052   -1.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507   -0.1722   -0.7273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168    0.6959   -0.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    0.2468    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -1.1371   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5932    1.0839    0.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3365    0.3834    1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091    1.6693    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263    1.3268    0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166   -1.0195   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -1.7371   -0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7313   -1.1532   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -1.5087    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298    1.5830    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
M  END
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3D SDF for HMDB0060496 (N,N'-Diacetylhydrazine)

 
  Mrv1652303111921022D          

  8  7  0  0  0  0            999 V2000
   25.7926  -17.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5155  -16.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5123  -15.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2315  -17.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0738  -16.6300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3574  -17.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3605  -17.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6525  -16.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0060496

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)NNC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)

> <INCHI_KEY>
ZLHNYIHIHQEHJQ-UHFFFAOYSA-N

> <FORMULA>
C4H8N2O2

> <MOLECULAR_WEIGHT>
116.1185

> <EXACT_MASS>
116.05857751

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.108355325764736

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N'-acetylacetohydrazide

> <ALOGPS_LOGP>
-1.34

> <JCHEM_LOGP>
-1.6197376966666666

> <ALOGPS_LOGS>
-0.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.442370257298762

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.827658835639378

> <JCHEM_PKA_STRONGEST_BASIC>
-4.617416808346708

> <JCHEM_POLAR_SURFACE_AREA>
58.2

> <JCHEM_REFRACTIVITY>
27.3318

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diacetylhydrazine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0060496 (N,N'-Diacetylhydrazine)

HMDB0060496
     RDKit          3D
N,N'-Diacetylhydrazine
 16 15  0  0  0  0  0  0  0  0999 V2000
    2.1397    0.8562    0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917   -0.1123   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180   -1.0052   -1.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507   -0.1722   -0.7273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168    0.6959   -0.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    0.2468    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -1.1371   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5932    1.0839    0.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3365    0.3834    1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091    1.6693    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263    1.3268    0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166   -1.0195   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -1.7371   -0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7313   -1.1532   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790   -1.5087    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298    1.5830    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
M  END
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PDB for HMDB0060496 (N,N'-Diacetylhydrazine)

HEADER    PROTEIN                                 11-MAR-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-MAR-19         0                                  
HETATM    1  N   UNK     0      48.146 -31.810   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      49.496 -31.024   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      49.490 -29.463   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      50.832 -31.790   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      46.804 -31.043   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      45.467 -31.822   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      45.473 -33.394   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      44.151 -31.069   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    1    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
MASTER        0    0    0    0    0    0    0    0    8    0   14    0
END
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3D PDB for HMDB0060496 (N,N'-Diacetylhydrazine)

COMPND    HMDB0060496
HETATM    1  C1  UNL     1       2.140   0.856   0.466  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.592  -0.112  -0.487  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.418  -1.005  -1.166  1.00  0.00           O  
HETATM    4  N1  UNL     1       0.351  -0.172  -0.727  1.00  0.00           N  
HETATM    5  N2  UNL     1      -0.517   0.696  -0.077  1.00  0.00           N  
HETATM    6  C3  UNL     1      -1.679   0.247   0.248  1.00  0.00           C  
HETATM    7  C4  UNL     1      -2.075  -1.137  -0.058  1.00  0.00           C  
HETATM    8  O2  UNL     1      -2.593   1.084   0.907  1.00  0.00           O  
HETATM    9  H1  UNL     1       2.337   0.383   1.449  1.00  0.00           H  
HETATM   10  H2  UNL     1       1.409   1.669   0.659  1.00  0.00           H  
HETATM   11  H3  UNL     1       3.026   1.327   0.021  1.00  0.00           H  
HETATM   12  H4  UNL     1       3.417  -1.019  -1.094  1.00  0.00           H  
HETATM   13  H5  UNL     1      -1.185  -1.737  -0.256  1.00  0.00           H  
HETATM   14  H6  UNL     1      -2.731  -1.153  -0.974  1.00  0.00           H  
HETATM   15  H7  UNL     1      -2.679  -1.509   0.794  1.00  0.00           H  
HETATM   16  H8  UNL     1      -3.230   1.583   0.296  1.00  0.00           H  
CONECT    1    2    9   10   11
CONECT    2    3    4    4
CONECT    3   12
CONECT    4    5
CONECT    5    6    6
CONECT    6    7    8
CONECT    7   13   14   15
CONECT    8   16
END
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SMILES for HMDB0060496 (N,N'-Diacetylhydrazine)

CC(=O)NNC(C)=O
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INCHI for HMDB0060496 (N,N'-Diacetylhydrazine)

InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
DiacetylhydrazineKegg
1,2-DiacetylhydrazineHMDB
N,N'-diacetylhydrazineMeSH
Chemical FormulaC4H8N2O2
Average Molecular Weight116.1185
Monoisotopic Molecular Weight116.05857751
IUPAC NameN'-acetylacetohydrazide
Traditional Namediacetylhydrazine
CAS Registry NumberNot Available
SMILES
CC(O)=NN=C(C)O
InChI Identifier
InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
InChI KeyZLHNYIHIHQEHJQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as azines. These are hydrazine derivatives in which the hydrazine group is conjugated to two aldehydes (forming aldazines) or ketones (forming ketazines).
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassHydrazines and derivatives
Direct ParentAzines
Alternative Parents
Substituents
  • Azine
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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 Solubility3.43 g/LALOGPS
logP-1.3ALOGPS
logP-1.6ChemAxon
logS-0.98ALOGPS
pKa (Strongest Acidic)10.83ChemAxon
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area58.2 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity27.33 m³·mol⁻¹ChemAxon
Polarizability11.11 ųChemAxon
Number of Rings0ChemAxon
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]+125.28931661259
DarkChem[M-H]-120.57331661259
DeepCCS[M+H]+125.13530932474
DeepCCS[M-H]-122.86730932474
DeepCCS[M-2H]-158.8930932474
DeepCCS[M+Na]+133.74530932474
AllCCS[M+H]+127.732859911
AllCCS[M+H-H2O]+123.532859911
AllCCS[M+NH4]+131.532859911
AllCCS[M+Na]+132.732859911
AllCCS[M-H]-123.932859911
AllCCS[M+Na-2H]-127.232859911
AllCCS[M+HCOO]-130.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N,N'-DiacetylhydrazineCC(O)=NN=C(C)O1987.8Standard polar33892256
N,N'-DiacetylhydrazineCC(O)=NN=C(C)O1226.0Standard non polar33892256
N,N'-DiacetylhydrazineCC(O)=NN=C(C)O1305.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N,N'-Diacetylhydrazine,1TMS,isomer #1CC(O)=NN=C(C)O[Si](C)(C)C1383.9Semi standard non polar33892256
N,N'-Diacetylhydrazine,2TMS,isomer #1CC(=NN=C(C)O[Si](C)(C)C)O[Si](C)(C)C1360.3Semi standard non polar33892256
N,N'-Diacetylhydrazine,1TBDMS,isomer #1CC(O)=NN=C(C)O[Si](C)(C)C(C)(C)C1556.3Semi standard non polar33892256
N,N'-Diacetylhydrazine,2TBDMS,isomer #1CC(=NN=C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1668.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N,N'-Diacetylhydrazine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-5b073edf1e2f87ffdf2c2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N,N'-Diacetylhydrazine GC-MS (2 TMS) - 70eV, Positivesplash10-00di-9720000000-66bc3fa043c47926d6a02017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N,N'-Diacetylhydrazine 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,N'-Diacetylhydrazine 10V, Positive-QTOFsplash10-014i-7900000000-a88c4b6e9efb73b1f9822016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N'-Diacetylhydrazine 20V, Positive-QTOFsplash10-05i0-9000000000-9f55cf4f68abed3f7e592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N'-Diacetylhydrazine 40V, Positive-QTOFsplash10-0aba-9000000000-7fb639d70308cdf3819f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N'-Diacetylhydrazine 10V, Negative-QTOFsplash10-014i-8900000000-95cc70237aaa680913be2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N'-Diacetylhydrazine 20V, Negative-QTOFsplash10-00di-9100000000-21dbdbcacb8102592bd22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N'-Diacetylhydrazine 40V, Negative-QTOFsplash10-05fr-9000000000-f06a8aa6396f1553043f2016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
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 IDC16622
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound72884
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 References
  1. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

Enzyme Details
1. Arylamine N-acetyltransferase 1
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
Acetyl-CoA + Acetylhydrazine → Coenzyme A + N,N'-Diacetylhydrazinedetails
Enzyme Details
2. Arylamine N-acetyltransferase 2
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
Acetyl-CoA + Acetylhydrazine → Coenzyme A + N,N'-Diacetylhydrazinedetails