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Human Metabolome Database Version 3.5

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Showing metabocard for Hydrogen peroxide (HMDB03125)

Record Information
Version 3.5
Creation Date 2006-05-22 09:12:34 -0600
Update Date 2013-02-08 17:12:17 -0700
HMDB ID HMDB03125
Secondary Accession Numbers
  • HMDB06491
Metabolite Identification
Common Name Hydrogen peroxide
Description Hydrogen peroxide (H2O2) is a very pale blue liquid which appears colourless in a dilute solution, slightly more viscous than water. It is a weak acid. It has strong oxidizing properties and is therefore a powerful bleaching agent that is mostly used for bleaching paper, but has also found use as a disinfectant and as an oxidizer. Hydrogen peroxide in the form of carbamide peroxide is widely used for tooth whitening (bleaching), both in professionally- and in self-administered products. Hydrogen peroxide (H2O2) is a well-documented component of living cells. It plays important roles in host defense and oxidative biosynthetic reactions. In addition there is growing evidence that at low levels, H2O2 also functions as a signaling agent, particularly in higher organisms. H2O2 has increasingly been viewed as an important cellular signaling agent in its own right, capable of modulating both contractile and growth-promoting pathways with more far-reaching effects. Due to the accumulation of hydrogen peroxide in the skin of patients with the depigmentation disorder vitiligo, the human epidermis cannot have the normal capacity for autocrine synthesis, transport and degradation of acetylcholine as well as the muscarinic (m1-m5) and nicotinic signal transduction in keratinocytes and melanocytes. Accumulating evidence suggests that hydrogen peroxide (H(2)O(2)) plays an important role in cancer development. Experimental data have shown that cancer cells produce high amounts of H(2)O(2). An increase in the cellular levels of H(2)O(2) has been linked to several key alterations in cancer, including DNA alterations, cell proliferation, apoptosis resistance, metastasis, angiogenesis and hypoxia-inducible factor 1 (HIF-1) activation. (PMID: 17150302 Link_out, 17335854 Link_out, 16677071 Link_out, 16607324 Link_out, 16514169 Link_out).
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Adeka Super EL
  2. Albone
  3. Albone 35
  4. Albone DS
  5. Anti-Keim 50
  6. Asepticper
  7. Baquashock
  8. CIX
  9. Clarigel Gold
  10. Crestal Whitestrips
  11. Crystacide
  12. Dentasept
  13. Deslime LP
  14. Hioxyl
  15. Hipox
  16. Hybrite
  17. Hydrogen dioxide
  18. Hydrogen peroxide
  19. Inhibine
  20. Lase Peroxide
  21. Lensan A
  22. Magic Bleaching
  23. Metrokur
  24. Mirasept
  25. Nite White Excel 2
  26. Odosat D
  27. Opalescence Xtra
  28. Oxigenal
  29. Oxydol
  30. Oxyfull
  31. Oxysept
  32. Oxysept I
  33. Pegasyl
  34. Perhydrol
  35. Perone
  36. Peroxaan
  37. Peroxclean
  38. Quasar Brite
  39. Select Bleach
  40. Superoxol
  41. T-Stuff
  42. Whiteness HP
  43. Whitespeed
  44. Xtra White
Chemical Formula H2O2
Average Molecular Weight 34.0147
Monoisotopic Molecular Weight 34.005479308
IUPAC Name peroxol
Traditional IUPAC Name hydrogen peroxide
CAS Registry Number 7722-84-1
SMILES OO
InChI Identifier InChI=1S/H2O2/c1-2/h1-2H
InChI Key MHAJPDPJQMAIIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Inorganic Compounds
Super Class Homogeneous Non-metal Compounds
Class Non-metal Oxoanionic Compounds
Sub Class Non-metal Superoxides
Other Descriptors
  • a small molecule(Cyc)
  • inorganic peroxide(ChEBI)
  • reactive oxygen species(ChEBI)
Substituents
  • N/A
Direct Parent Non-metal Superoxides
Ontology
Status Detected and Quantified
Origin
  • Endogenous
Biofunction
  • Host defense, signalling
Application Not Available
Cellular locations Not Available
Physical Properties
State Liquid
Experimental Properties
Property Value Reference
Melting Point -0.43 °C Not Available
Boiling Point Not Available Not Available
Water Solubility 1000 mg/mL at 25 °C Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility ALOGPS
LogP -0.45 ChemAxon
pKa (strongest acidic) 11.52 ChemAxon
pKa (strongest basic) -4.2 ChemAxon
Hydrogen Acceptor Count 2 ChemAxon
Hydrogen Donor Count 2 ChemAxon
Polar Surface Area 40.46 A2 ChemAxon
Rotatable Bond Count 0 ChemAxon
Refractivity 5.13 ChemAxon
Polarizability 2.29 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge 0 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations
  • Blood
Tissue Location Not Available
Pathways
Name SMPDB Link KEGG Link
Phenylalanine and Tyrosine Metabolism SMP00008 map00360 Link_out
Histidine Metabolism SMP00044 map00340 Link_out
D-Arginine and D-Ornithine Metabolism SMP00036 map00472 Link_out
Riboflavin Metabolism SMP00070 map00740 Link_out
Ethanol Degradation SMP00449 Not Available
Degradation of Superoxides SMP00468 Not Available
Plasmalogen Synthesis SMP00479 Not Available
Arachidonic Acid Metabolism SMP00075 map00590 Link_out
Glycine and Serine Metabolism SMP00004 map00260 Link_out
Normal Concentrations
Biofluid Status Value Age Sex Condition Comments
Blood Detected and Quantified
Article_icon
10.5 +/- 3.6 uM Adult (>18 years old) Both Normal Not Available
Abnormal Concentrations
Biofluid Status Value Age Sex Condition Comments
Blood Detected and Quantified
Article_icon
23.5 +/- 3.0 uM Adult (>18 years old) Both Coronary heart disease Measured in plasma (negative single photon...
Blood Detected and Quantified
Article_icon
21.0 +/- 2.9 uM Adult (>18 years old) Both Coronary heart disease Measured in plasma (negative single photon...
Blood Detected and Quantified
Article_icon
50.3 +/- 5.4 uM Adult (>18 years old) Both Coronary heart disease Measured in plasma (positive single photon...
Blood Detected and Quantified
Article_icon
30.5 +/- 4.6 uM Adult (>18 years old) Both Coronary heart disease Measured in plasma (positive single photon...
Associated Disorders and Diseases
Disease References
Coronary heart disease
  • Kazmierczak M, Wysocki H, Wykretowicz A, Minczykowski A: Estimation of hydrogen peroxide plasma levels in patients evaluated for coronary heart disease using dipyridamole infusion followed by SPECT. Coron Artery Dis. 1995 Jan;6(1):65-9. Pubmed: 7767505 Link_out
    Associated OMIM IDs None
    DrugBank ID Not Available
    Phenol Explorer Compound ID Not Available
    Phenol Explorer Metabolite ID Not Available
    FoodDB ID FDB014562
    KNApSAcK ID Not Available
    Chemspider ID 763 Link_out
    KEGG Compound ID C00027 Link_out
    BioCyc ID HYDROGEN-PEROXIDE Link_out
    BiGG ID 33570 Link_out
    Wikipedia Link Hydrogen peroxide Link_out
    NuGOwiki Link HMDB03125 Link_out
    Metagene Link HMDB03125 Link_out
    METLIN ID Not Available
    PubChem Compound 784 Link_out
    PDB ID PEO Link_out
    ChEBI ID 16240 Link_out
    References
    Synthesis Reference Not Available
    Material Safety Data Sheet (MSDS) Download (PDF)
    General References Not Available
    Enzymes
    Name: Peroxisomal sarcosine oxidase
    Reactions:
    • L-pipecolate + O2 = 2,3,4,5-tetrahydropyridine-2-carboxylate + H2O2 [RN:R02204]
    Gene Name: PIPOX
    Uniprot ID: Q9P0Z9 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
    Reactions:
    • (1) N1-acetylspermidine + O2 + H2O = putrescine + 3-acetamidopropanal + H2O2 [RN:R09074]
    • (2) N1-acetylspermine + O2 + H2O = spermidine + 3-acetamidopropanal + H2O2 [RN:R03899]
    Gene Name: PAOX
    Uniprot ID: Q6QHF9 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Aldehyde oxidase
    Reactions:
    • an aldehyde + H2O + O2 = a carboxylic acid + H2O2 [RN:R00635]
    Gene Name: AOX1
    Uniprot ID: Q06278 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Peroxisomal acyl-coenzyme A oxidase 1
    Reactions:
    • acyl-CoA + O2 = trans-2,3-dehydroacyl-CoA + H2O2 [RN:R00388]
    Gene Name: ACOX1
    Uniprot ID: Q15067 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: D-aspartate oxidase
    Reactions:
    • D-aspartate + H2O + O2 = oxaloacetate + NH3 + H2O2 [RN:R00359]
    Gene Name: DDO
    Uniprot ID: Q99489 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Amine oxidase [flavin-containing] B
    Reactions:
    • RCH2NHR' + H2O + O2 = RCHO + R'NH2 + H2O2 [RN:R01853]
    Gene Name: MAOB
    Uniprot ID: P27338 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Amine oxidase [flavin-containing] A
    Reactions:
    • RCH2NHR' + H2O + O2 = RCHO + R'NH2 + H2O2 [RN:R01853]
    Gene Name: MAOA
    Uniprot ID: P21397 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Xanthine dehydrogenase/oxidase
    Reactions:
    • xanthine + H2O + O2 = urate + H2O2 [RN:R02107]
    Gene Name: XDH
    Uniprot ID: P47989 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Dihydroorotate dehydrogenase, mitochondrial
    Reactions:
    • (S)-dihydroorotate + a quinone = orotate + a quinol [RN:R01868]
    Gene Name: DHODH
    Uniprot ID: Q02127 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Peroxisomal acyl-coenzyme A oxidase 3
    Reactions:
    • acyl-CoA + O2 = trans-2,3-dehydroacyl-CoA + H2O2 [RN:R00388]
    Gene Name: ACOX3
    Uniprot ID: O15254 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: D-amino-acid oxidase
    Reactions:
    • a D-amino acid + H2O + O2 = a 2-oxo acid + NH3 + H2O2 [RN:R01340]
    Gene Name: DAO
    Uniprot ID: P14920 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Thyroid peroxidase
    Reactions:
    • 2 iodide + H2O2 + 2 H+ = diiodine + 2 H2O [RN:R02810]
    Gene Name: TPO
    Uniprot ID: P07202 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Lactoperoxidase
    Reactions:
    • donor + H2O2 = oxidized donor + 2 H2O [RN:R03532]
    Gene Name: LPO
    Uniprot ID: P22079 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Myeloperoxidase
    Reactions:
    • donor + H2O2 = oxidized donor + 2 H2O [RN:R03532]
    Gene Name: MPO
    Uniprot ID: P05164 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Eosinophil peroxidase
    Reactions:
    • donor + H2O2 = oxidized donor + 2 H2O [RN:R03532]
    Gene Name: EPX
    Uniprot ID: P11678 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Amiloride-sensitive amine oxidase [copper-containing]
    Reactions:
    • histamine + H2O + O2 = (imidazol-4-yl)acetaldehyde + NH3 + H2O2 [RN:R02150]
    Gene Name: ABP1
    Uniprot ID: P19801 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Membrane primary amine oxidase
    Reactions:
    • RCH2NH2 + H2O + O2 = RCHO + NH3 + H2O2 [RN:R01853]
    Gene Name: AOC3
    Uniprot ID: Q16853 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Retina-specific copper amine oxidase
    Reactions:
    • RCH2NH2 + H2O + O2 = RCHO + NH3 + H2O2 [RN:R01853]
    Gene Name: AOC2
    Uniprot ID: O75106 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Pyridoxine-5'-phosphate oxidase
    Reactions:
    • (1) pyridoxamine 5'-phosphate + H2O + O2 = pyridoxal 5'-phosphate + NH3 + H2O2 [RN:R00277]
    • (2) pyridoxine 5'-phosphate + O2 = pyridoxal 5'-phosphate + H2O2 [RN:R00278]
    Gene Name: PNPO
    Uniprot ID: Q9NVS9 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Protein-lysine 6-oxidase
    Reactions:
    • peptidyl-L-lysyl-peptide + O2 + H2O = peptidyl-allysyl-peptide + NH3 + H2O2 [RN:R04239]
    Gene Name: LOX
    Uniprot ID: P28300 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Hydroxyacid oxidase 2
    Reactions:
    • an (S)-2-hydroxy acid + O2 = a 2-oxo acid + H2O2 [RN:R01341]
    Gene Name: HAO2
    Uniprot ID: Q9NYQ3 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Glutathione peroxidase 7
    Reactions:
    • 2 glutathione + H2O2 = glutathione disulfide + 2 H2O [RN:R00274]
    Gene Name: GPX7
    Uniprot ID: Q96SL4 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Epididymal secretory glutathione peroxidase
    Reactions:
    • 2 glutathione + H2O2 = glutathione disulfide + 2 H2O [RN:R00274]
    Gene Name: GPX5
    Uniprot ID: O75715 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Glutathione peroxidase 6
    Reactions:
    • 2 glutathione + H2O2 = glutathione disulfide + 2 H2O [RN:R00274]
    Gene Name: GPX6
    Uniprot ID: P59796 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Glutathione peroxidase 1
    Reactions:
    • 2 glutathione + H2O2 = glutathione disulfide + 2 H2O [RN:R00274]
    Gene Name: GPX1
    Uniprot ID: P07203 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Phospholipid hydroperoxide glutathione peroxidase, mitochondrial
    Reactions:
    • 2 glutathione + a lipid hydroperoxide = glutathione disulfide + lipid + 2 H2O [RN:R03167]
    Gene Name: GPX4
    Uniprot ID: P36969 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Glutathione peroxidase 3
    Reactions:
    • 2 glutathione + H2O2 = glutathione disulfide + 2 H2O [RN:R00274]
    Gene Name: GPX3
    Uniprot ID: P22352 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Glutathione peroxidase 2
    Reactions:
    • 2 glutathione + H2O2 = glutathione disulfide + 2 H2O [RN:R00274]
    Gene Name: GPX2
    Uniprot ID: P18283 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Sulfite oxidase, mitochondrial
    Reactions:
    • sulfite + O2 + H2O = sulfate + H2O2 [RN:R00533]
    Gene Name: SUOX
    Uniprot ID: P51687 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Catalase
    Reactions:
    • 2 H2O2 = O2 + 2 H2O [RN:R00009]
    Gene Name: CAT
    Uniprot ID: P04040 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Superoxide dismutase [Mn], mitochondrial
    Reactions:
    • 2 O2.- + 2 H+ = O2 + H2O2 [RN:R00275]
    Gene Name: SOD2
    Uniprot ID: P04179 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Amyloid beta A4 protein
    Reactions:
      Gene Name: APP
      Uniprot ID: P05067 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Superoxide dismutase [Cu-Zn]
      Reactions:
      • 2 O2.- + 2 H+ = O2 + H2O2 [RN:R00275]
      Gene Name: SOD1
      Uniprot ID: P00441 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Peroxiredoxin-5, mitochondrial
      Reactions:
      • 2 R'-SH + ROOH = R'-S-S-R' + H2O + ROH [RN:R07180]
      Gene Name: PRDX5
      Uniprot ID: P30044 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Dual oxidase 2
      Reactions:
      • NAD(P)H + H+ + O2 = NAD(P)+ + H2O2 [RN:R07171 R07172]
      Gene Name: DUOX2
      Uniprot ID: Q9NRD8 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Extracellular superoxide dismutase [Cu-Zn]
      Reactions:
      • 2 O2.- + 2 H+ = O2 + H2O2 [RN:R00275]
      Gene Name: SOD3
      Uniprot ID: P08294 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Dual oxidase 1
      Reactions:
      • NAD(P)H + H+ + O2 = NAD(P)+ + H2O2 [RN:R07171 R07172]
      Gene Name: DUOX1
      Uniprot ID: Q9NRD9 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Prenylcysteine oxidase 1
      Reactions:
      • an S-prenyl-L-cysteine + O2 + H2O = a prenal + L-cysteine + H2O2 [RN:R07360]
      Gene Name: PCYOX1
      Uniprot ID: Q9UHG3 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: NADPH oxidase activator 1
      Reactions:
        Gene Name: NOXA1
        Uniprot ID: Q86UR1 Link_out
        Protein Sequence: FASTA
        Gene Sequence: FASTA
        Name: NADPH oxidase organizer 1
        Reactions:
          Gene Name: NOXO1
          Uniprot ID: Q8NFA2 Link_out
          Protein Sequence: FASTA
          Gene Sequence: FASTA