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Showing metabocard for Phthalazine (HMDB0256500)

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enzymes (5) Show 5 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 16:59:41 UTC
Update Date2021-10-01 22:52:06 UTC
HMDB IDHMDB0256500
Secondary Accession NumbersNone
Metabolite Identification
Common NamePhthalazine
Descriptionphthalazine, also known as 2,3-benzodiazine or benzopyridazine, belongs to the class of organic compounds known as phthalazines. Phthalazines are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton. Based on a literature review very few articles have been published on phthalazine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Phthalazine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Phthalazine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0256500 (Phthalazine)


  Mrv1572004221606452D          

 10 11  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  3  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
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3D MOL for HMDB0256500 (Phthalazine)

HMDB0256500
     RDKit          3D
Phthalazine
 16 17  0  0  0  0  0  0  0  0999 V2000
    2.0046   -0.4976    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036    0.8769   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686    1.4780   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574    0.6600   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7218    1.2095   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7885    0.3954   -0.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777   -0.9205   -0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -1.5390    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597   -0.7159    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008   -1.3127    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9911   -0.9428    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    1.5047   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5118    2.5479   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678    2.2584   -0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -2.6119    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9499   -2.3905    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  9  4  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  5 14  1  0
  8 15  1  0
 10 16  1  0
M  END
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3D SDF for HMDB0256500 (Phthalazine)


  Mrv1572004221606452D          

 10 11  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  3  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0256500

> <DATABASE_NAME>
hmdb

> <SMILES>
C1=CC=C2C=NN=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H

> <INCHI_KEY>
LFSXCDWNBUNEEM-UHFFFAOYSA-N

> <FORMULA>
C8H6N2

> <MOLECULAR_WEIGHT>
130.15

> <EXACT_MASS>
130.053098201

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
13.112410534581446

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phthalazine

> <ALOGPS_LOGP>
0.77

> <JCHEM_LOGP>
0.7652801939999999

> <ALOGPS_LOGS>
-1.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.8870848371328672

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
40.2146

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.76e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phthalazine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0256500 (Phthalazine)

HMDB0256500
     RDKit          3D
Phthalazine
 16 17  0  0  0  0  0  0  0  0999 V2000
    2.0046   -0.4976    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036    0.8769   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686    1.4780   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574    0.6600   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7218    1.2095   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7885    0.3954   -0.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777   -0.9205   -0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -1.5390    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597   -0.7159    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008   -1.3127    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9911   -0.9428    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    1.5047   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5118    2.5479   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678    2.2584   -0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -2.6119    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9499   -2.3905    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  9  4  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  5 14  1  0
  8 15  1  0
 10 16  1  0
M  END
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PDB for HMDB0256500 (Phthalazine)

HEADER    PROTEIN                                 22-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-APR-16         0                                  
HETATM    1  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       6.668  -0.770   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       6.668  -2.310   0.000  0.00  0.00           N+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    7                                                       
CONECT    4    2    8                                                       
CONECT    5    7    9                                                       
CONECT    6    8   10                                                       
CONECT    7    3    5    8                                                  
CONECT    8    4    6    7                                                  
CONECT    9    5   10                                                       
CONECT   10    6    9                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   22    0
END
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3D PDB for HMDB0256500 (Phthalazine)

COMPND    HMDB0256500
HETATM    1  C1  UNL     1       2.005  -0.498   0.047  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.904   0.877  -0.000  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.669   1.478  -0.039  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.457   0.660  -0.029  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.722   1.210  -0.067  1.00  0.00           C  
HETATM    6  N1  UNL     1      -2.789   0.395  -0.056  1.00  0.00           N  
HETATM    7  N2  UNL     1      -2.678  -0.920  -0.010  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.486  -1.539   0.029  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.360  -0.716   0.018  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.901  -1.313   0.058  1.00  0.00           C  
HETATM   11  H1  UNL     1       2.991  -0.943   0.077  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.789   1.505  -0.008  1.00  0.00           H  
HETATM   13  H3  UNL     1       0.512   2.548  -0.077  1.00  0.00           H  
HETATM   14  H4  UNL     1      -1.868   2.258  -0.104  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.360  -2.612   0.067  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.950  -2.390   0.094  1.00  0.00           H  
CONECT    1    2    2   10   11
CONECT    2    3   12
CONECT    3    4    4   13
CONECT    4    5    9
CONECT    5    6    6   14
CONECT    6    7
CONECT    7    8    8
CONECT    8    9   15
CONECT    9   10   10
CONECT   10   16
END
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SMILES for HMDB0256500 (Phthalazine)

C1=CC=C2C=NN=CC2=C1
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INCHI for HMDB0256500 (Phthalazine)

InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2,3-BenzodiazineChEBI
2,3-DiazanaphthaleneChEBI
Benzo[D]pyridazineChEBI
BenzopyridazineChEBI
beta-PhenodiazineChEBI
b-PhenodiazineGenerator
Β-phenodiazineGenerator
Chemical FormulaC8H6N2
Average Molecular Weight130.15
Monoisotopic Molecular Weight130.053098201
IUPAC Namephthalazine
Traditional Namephthalazine
CAS Registry NumberNot Available
SMILES
C1=CC=C2C=NN=CC2=C1
InChI Identifier
InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChI KeyLFSXCDWNBUNEEM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phthalazines. Phthalazines are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazanaphthalenes
Sub ClassBenzodiazines
Direct ParentPhthalazines
Alternative Parents
Substituents
  • Phthalazine
  • Benzenoid
  • Pyridazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
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
logP0.77ALOGPS
logP0.77ChemAxon
logS-1.5ALOGPS
pKa (Strongest Basic)2.89ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity40.21 m³·mol⁻¹ChemAxon
Polarizability13.11 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+127.5130932474
DeepCCS[M-H]-124.37530932474
DeepCCS[M-2H]-161.30530932474
DeepCCS[M+Na]+136.54730932474
AllCCS[M+H]+126.132859911
AllCCS[M+H-H2O]+121.132859911
AllCCS[M+NH4]+130.732859911
AllCCS[M+Na]+132.132859911
AllCCS[M-H]-124.132859911
AllCCS[M+Na-2H]-125.332859911
AllCCS[M+HCOO]-126.632859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.81 minutes32390414
Predicted by Siyang on May 30, 202211.011 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.03 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1262.8 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid397.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid126.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid249.7 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid198.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid387.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid450.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)91.8 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid751.9 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid290.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1067.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid253.4 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid359.4 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate574.4 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA256.5 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water100.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PhthalazineC1=CC=C2C=NN=CC2=C12172.3Standard polar33892256
PhthalazineC1=CC=C2C=NN=CC2=C11378.7Standard non polar33892256
PhthalazineC1=CC=C2C=NN=CC2=C11380.2Semi standard non polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal 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 ID8852
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhthalazine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID36597
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. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details
1. Aldehyde oxidase
General function:
Involved in oxidoreductase activity
Specific function:
Not Available
Gene Name:
AOX1
Uniprot ID:
Q06278
Molecular weight:
147916.735
Enzyme Details
2. Aldehyde oxidase 1
General function:
Not Available
Specific function:
Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as N1-methylnicotinamide, N-methylphthalazinium and phthalazine, as well as aldehydes, such as benzaldehyde, retinal, pyridoxal, and vanillin. Plays a key role in the metabolism of xenobiotics and drugs containing aromatic azaheterocyclic substituents. Participates in the bioactivation of prodrugs such as famciclovir, catalyzing the oxidation step from 6-deoxypenciclovir to penciclovir, which is a potent antiviral agent. Is probably involved in the regulation of reactive oxygen species homeostasis. May be a prominent source of superoxide generation via the one-electron reduction of molecular oxygen. Also may catalyze nitric oxide (NO) production via the reduction of nitrite to NO with NADH or aldehyde as electron donor. May play a role in adipogenesis.
Gene Name:
AOX1
Uniprot ID:
H9TB17
Molecular weight:
145273.855
Enzyme Details
3. Aldehyde oxidase 1
General function:
Not Available
Specific function:
Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as N1-methylnicotinamide, N-methylphthalazinium and phthalazine, as well as aldehydes, such as benzaldehyde, retinal, pyridoxal, and vanillin. Plays a key role in the metabolism of xenobiotics and drugs containing aromatic azaheterocyclic substituents. Participates in the bioactivation of prodrugs such as famciclovir, catalyzing the oxidation step from 6-deoxypenciclovir to penciclovir, which is a potent antiviral agent. Is probably involved in the regulation of reactive oxygen species homeostasis. May be a prominent source of superoxide generation via the one-electron reduction of molecular oxygen. Also may catalyze nitric oxide (NO) production via the reduction of nitrite to NO with NADH or aldehyde as electron donor. May play a role in adipogenesis. Cannot use hypoxanthine and all-trans-retinol as substrate.
Gene Name:
AOX1
Uniprot ID:
P80456
Molecular weight:
147137.285
Enzyme Details
4. Aldehyde oxidase 1
General function:
Not Available
Specific function:
Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as N1-methylnicotinamide, N-methylphthalazinium and phthalazine, as well as aldehydes, such as benzaldehyde, retinal, pyridoxal, and vanillin. Plays a role in the metabolism of xenobiotics and drugs containing aromatic azaheterocyclic substituents. Participates in the bioactivation of prodrugs such as famciclovir, catalyzing the oxidation step from 6-deoxypenciclovir to penciclovir, which is a potent antiviral agent. Is probably involved in the regulation of reactive oxygen species homeostasis. Is a prominent source of superoxide generation via the one-electron reduction of molecular oxygen. Also catalyzes nitric oxide (NO) production; under anaerobic conditions, reduces nitrite to NO with NADH or aldehyde as electron donor, but under aerobic conditions, NADH is the preferred substrate. These reactions may be catalyzed by several isozymes. May play a role in adipogenesis.
Gene Name:
AOX1
Uniprot ID:
Q9Z0U5
Molecular weight:
146919.64
Enzyme Details
5. Aldehyde oxidase 2
General function:
Not Available
Specific function:
Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as phthalazine, as well as aldehydes, such as benzaldehyde and retinal.
Gene Name:
AOX2
Uniprot ID:
H9TB19
Molecular weight:
144922.87