Cannabis Compound Database: Showing Compound Card for Hydrogen peroxide (CDB004947)

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Identification Taxonomy Ontology Physical properties Spectra Protein target Pathways Concentrations Links References enzymes (50) Show 80 proteins XML

Record Information

Version

1.0

Created at

2020-04-17 18:53:25 UTC

Updated at

2020-12-07 19:11:21 UTC

CannabisDB ID

CDB004947

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

Hydrogen peroxide

Description

Hydrogen peroxide, also known as oxydol or dihydrogen dioxide, belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'. Hydrogen peroxide is an extremely weak basic (essentially neutral) compound (based on its pKa). Hydrogen peroxide exists in all living species, ranging from bacteria to humans. In humans, hydrogen peroxide is involved in disulfiram action pathway. Outside of the human body, Hydrogen peroxide has been detected, but not quantified in, several different foods, such as tree ferns, napa cabbages, lingonberries, chives, and sesames. This could make hydrogen peroxide a potential biomarker for the consumption of these foods. An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond. Hydrogen peroxide is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[OH(OH)]	ChEBI
Dihydrogen dioxide	ChEBI
H2O2	ChEBI
HOOH	ChEBI
Oxydol	ChEBI
Perhydrol	ChEBI
Oxyfull	Kegg
Adeka super el	HMDB
Albone	HMDB
Albone 35	HMDB
Albone DS	HMDB
Anti-keim 50	HMDB
Asepticper	HMDB
Baquashock	HMDB
CIX	HMDB
Clarigel gold	HMDB
Crestal whitestrips	HMDB
Crystacide	HMDB
Dentasept	HMDB
Deslime LP	HMDB
Hioxyl	HMDB
Hipox	HMDB
Hybrite	HMDB
Hydrogen dioxide	HMDB
Inhibine	HMDB
Lase peroxide	HMDB
Lensan a	HMDB
Magic bleaching	HMDB
Metrokur	HMDB
Mirasept	HMDB
Nite white excel 2	HMDB
Odosat D	HMDB
Opalescence xtra	HMDB
Oxigenal	HMDB
Oxysept	HMDB
Oxysept I	HMDB
Pegasyl	HMDB
Perone	HMDB
Peroxaan	HMDB
Peroxclean	HMDB
Quasar brite	HMDB
Select bleach	HMDB
Superoxol	HMDB
T-Stuff	HMDB
Whiteness HP	HMDB
Whitespeed	HMDB
Xtra white	HMDB
Hydrogen peroxide (H2O2)	HMDB
Hydroperoxide	HMDB
Peroxide, hydrogen	HMDB

Chemical Formula

H₂O₂

Average Molecular Weight

34.01

Monoisotopic Molecular Weight

34.0055

IUPAC Name

peroxol

Traditional Name

hydrogen peroxide

CAS Registry Number

7722-84-1

SMILES

InChI Identifier

InChI=1S/H2O2/c1-2/h1-2H

InChI Key

MHAJPDPJQMAIIY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Homogeneous other non-metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous other non-metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous other non metal

Molecular Framework

Not Available

External Descriptors

reactive oxygen species (CHEBI:16240 )
inorganic peroxide (CHEBI:16240 )
a small molecule (HYDROGEN-PEROXIDE )

Ontology

Physiological effect

Health effect:

Health condition:

Coronary heart disease

Disposition

Route of exposure:

Enteral:

Ingestion

Biological location:

Subcellular:

Biofluid and excreta:

Blood

Source:

Biological:

Animal

Plant:

Role

Industrial application:

Pharmaceutical industry:

Pharmaceutical

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	-0.43 °C	Not Available
Boiling Point	150.2 °C	Wikipedia
Water Solubility	1000 mg/mL at 25 °C	Not Available
logP	-0.43	Wikipedia

Predicted Properties

Property	Value	Source
logP	-0.45	ChemAxon
pKa (Strongest Acidic)	11.52	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	5.13 m³·mol⁻¹	ChemAxon
Polarizability	2.29 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Hydrogen peroxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-9000000000-4749d46780bc552fb9af	Spectrum
Predicted GC-MS	Hydrogen peroxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Hydrogen peroxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-9000000000-50a90bb1548c24e83fbe	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9000000000-50a90bb1548c24e83fbe	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9000000000-50a90bb1548c24e83fbe	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-a9a93dd42f2cfa0b34c4	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-a9a93dd42f2cfa0b34c4	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-a9a93dd42f2cfa0b34c4	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-d77c0031598ec85f7286	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-d77c0031598ec85f7286	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-d77c0031598ec85f7286	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-9000000000-86b45185e1deeaca15e1	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9000000000-86b45185e1deeaca15e1	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9000000000-86b45185e1deeaca15e1	2021-09-22	View Spectrum

NMR

Not Available

Pathways

Name	SMPDB/Pathwhiz	KEGG
Phenylalanine and Tyrosine Metabolism
Histidine Metabolism
D-Arginine and D-Ornithine Metabolism
Riboflavin Metabolism
Ethanol Degradation		Not Available

Protein Targets

Enzymes

Protein Name	Gene Name	Locus	Uniprot ID	Details
Peroxisomal sarcosine oxidase	PIPOX	17q11.2	Q9P0Z9	details
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase	PAOX	10q26.3	Q6QHF9	details
Aldehyde oxidase	AOX1	2q33	Q06278	details
Peroxisomal acyl-coenzyme A oxidase 1	ACOX1	17q25.1	Q15067	details
D-aspartate oxidase	DDO	6q21	Q99489	details
Amine oxidase [flavin-containing] B	MAOB	Xp11.23	P27338	details
Amine oxidase [flavin-containing] A	MAOA	Xp11.3	P21397	details
Xanthine dehydrogenase/oxidase	XDH	2p23.1	P47989	details
Dihydroorotate dehydrogenase (quinone), mitochondrial	DHODH	16q22	Q02127	details
Peroxisomal acyl-coenzyme A oxidase 3	ACOX3	4p15.3	O15254	details
D-amino-acid oxidase	DAO	12q24	P14920	details
Thyroid peroxidase	TPO	2p25	P07202	details
Lactoperoxidase	LPO	17q23.1	P22079	details
Peroxiredoxin-6	PRDX6	1q25.1	P30041	details
Myeloperoxidase	MPO	17q23.1	P05164	details
Eosinophil peroxidase	EPX	17q23.1	P11678	details
Amiloride-sensitive amine oxidase [copper-containing]	ABP1	7q36.1	P19801	details
Membrane primary amine oxidase	AOC3	17q21	Q16853	details
Retina-specific copper amine oxidase	AOC2	17q21	O75106	details
Pyridoxine-5'-phosphate oxidase	PNPO	17q21.32	Q9NVS9	details
Protein-lysine 6-oxidase	LOX	5q23.2	P28300	details
Hydroxyacid oxidase 1	HAO1	20p12	Q9UJM8	details
Hydroxyacid oxidase 2	HAO2	1p13.3-p13.1	Q9NYQ3	details
Glutathione peroxidase 7	GPX7	1p32	Q96SL4	details
Epididymal secretory glutathione peroxidase	GPX5	6p22.1	O75715	details
Glutathione peroxidase 6	GPX6	6p22.1	P59796	details
Glutathione peroxidase 1	GPX1	3p21.3	P07203	details
Phospholipid hydroperoxide glutathione peroxidase, mitochondrial	GPX4	19p13.3	P36969	details
Glutathione peroxidase 3	GPX3	5q23	P22352	details
Glutathione peroxidase 2	GPX2	14q24.1	P18283	details
Protoporphyrinogen oxidase	PPOX	1q22	P50336	details
Sulfite oxidase, mitochondrial	SUOX	12q13.2	P51687	details
Catalase	CAT	11p13	P04040	details
Superoxide dismutase [Mn], mitochondrial	SOD2	6q25.3	P04179	details
Superoxide dismutase [Cu-Zn]	SOD1	21q22.11	P00441	details
Peroxiredoxin-5, mitochondrial	PRDX5	11q13	P30044	details
Spermine oxidase	SMOX	20p13	Q9NWM0	details
Dual oxidase 2	DUOX2	15q15.3	Q9NRD8	details
Extracellular superoxide dismutase [Cu-Zn]	SOD3	4p15.2	P08294	details
Dual oxidase 1	DUOX1	15q15.3	Q9NRD9	details
Lysyl oxidase homolog 2	LOXL2	8p21.3	Q9Y4K0	details
FAD-linked sulfhydryl oxidase ALR	GFER	16p13.3-p13.12	P55789	details
NADPH oxidase 4	NOX4	11q14.2-q21	Q9NPH5	details
L-amino-acid oxidase	IL4I1	19q13.3-q13.4	Q96RQ9	details
Prenylcysteine oxidase 1	PCYOX1	2p13.3	Q9UHG3	details
Sulfhydryl oxidase 1	QSOX1	1q24	O00391	details
Sulfhydryl oxidase 2	QSOX2	9q34.3	Q6ZRP7	details
NADPH oxidase activator 1	NOXA1	9q34.3	Q86UR1	details
NADPH oxidase organizer 1	NOXO1	16p13.3	Q8NFA2	details
Probable glutathione peroxidase 8	GPX8	5q11.2	Q8TED1	details

Transporters

Not Available

Metal Bindings

Protein Name	Gene Name	Locus	Uniprot ID	Details
Aldehyde oxidase	AOX1	2q33	Q06278	details
Xanthine dehydrogenase/oxidase	XDH	2p23.1	P47989	details
Thyroid peroxidase	TPO	2p25	P07202	details
Lactoperoxidase	LPO	17q23.1	P22079	details
Myeloperoxidase	MPO	17q23.1	P05164	details
Eosinophil peroxidase	EPX	17q23.1	P11678	details
Amiloride-sensitive amine oxidase [copper-containing]	ABP1	7q36.1	P19801	details
Membrane primary amine oxidase	AOC3	17q21	Q16853	details
Retina-specific copper amine oxidase	AOC2	17q21	O75106	details
Protein-lysine 6-oxidase	LOX	5q23.2	P28300	details
Sulfite oxidase, mitochondrial	SUOX	12q13.2	P51687	details
Catalase	CAT	11p13	P04040	details
Superoxide dismutase [Mn], mitochondrial	SOD2	6q25.3	P04179	details
Superoxide dismutase [Cu-Zn]	SOD1	21q22.11	P00441	details
Dual oxidase 2	DUOX2	15q15.3	Q9NRD8	details
Extracellular superoxide dismutase [Cu-Zn]	SOD3	4p15.2	P08294	details
Dual oxidase 1	DUOX1	15q15.3	Q9NRD9	details
Peroxidasin homolog	PXDN	2p25	Q92626	details
Peroxidasin-like protein	PXDNL	8q11.22-q11.23	A1KZ92	details
Lysyl oxidase homolog 2	LOXL2	8p21.3	Q9Y4K0	details
NADPH oxidase 4	NOX4	11q14.2-q21	Q9NPH5	details

Receptors

Protein Name	Gene Name	Locus	Uniprot ID	Details
Amiloride-sensitive amine oxidase [copper-containing]	ABP1	7q36.1	P19801	details
Superoxide dismutase [Cu-Zn]	SOD1	21q22.11	P00441	details
Peroxidasin homolog	PXDN	2p25	Q92626	details
Lysyl oxidase homolog 2	LOXL2	8p21.3	Q9Y4K0	details

Transcriptional Factors

Protein Name	Gene Name	Locus	Uniprot ID	Details
Glutathione peroxidase 3	GPX3	5q23	P22352	details
Catalase	CAT	11p13	P04040	details
Superoxide dismutase [Mn], mitochondrial	SOD2	6q25.3	P04179	details
Peroxiredoxin-5, mitochondrial	PRDX5	11q13	P30044	details
Lysyl oxidase homolog 2	LOXL2	8p21.3	Q9Y4K0	details

Concentrations Data

Not Available

External Links

HMDB ID

HMDB0003125

DrugBank ID

DB11091

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014562

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

Not Available

PubChem Compound

784

PDB ID

Not Available

ChEBI ID

16240

References

General References

Not Available

Only showing the first 10 proteins. There are 80 proteins in total.

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Enzymes

Enzyme Details

1. Peroxisomal sarcosine oxidase

General function:: Involved in oxidoreductase activity
Specific function:: Metabolizes sarcosine, L-pipecolic acid and L-proline.
Gene Name:: PIPOX
Uniprot ID:: Q9P0Z9
Molecular weight:: 44065.515

Enzyme Details

2. Peroxisomal N(1)-acetyl-spermine/spermidine oxidase

General function:: Amino acid transport and metabolism
Specific function:: Flavoenzyme which catalyzes the oxidation of N(1)-acetylspermine to spermidine and is thus involved in the polyamine back-conversion. Can also oxidize N(1)-acetylspermidine to putrescine. Substrate specificity: N(1)-acetylspermine = N(1)-acetylspermidine > N(1),N(12)-diacylspermine >> spermine. Does not oxidize spermidine. Plays an important role in the regulation of polyamine intracellular concentration and has the potential to act as a determinant of cellular sensitivity to the antitumor polyamine analogs.
Gene Name:: PAOX
Uniprot ID:: Q6QHF9
Molecular weight:: 55512.64

Enzyme Details

3. Aldehyde oxidase

General function:: Involved in oxidoreductase activity
Specific function:: Not Available
Gene Name:: AOX1
Uniprot ID:: Q06278
Molecular weight:: 147916.735

Enzyme Details

4. Peroxisomal acyl-coenzyme A oxidase 1

General function:: Involved in acyl-CoA dehydrogenase activity
Specific function:: Catalyzes the desaturation of acyl-CoAs to 2-trans-enoyl-CoAs. Isoform 1 shows highest activity against medium-chain fatty acyl-CoAs and activity decreases with increasing chain length. Isoform 2 is active against a much broader range of substrates and shows activity towards very long-chain acyl-CoAs. Isoform 2 is twice as active as isoform 1 against 16-hydroxy-palmitoyl-CoA and is 25% more active against 1,16-hexadecanodioyl-CoA.
Gene Name:: ACOX1
Uniprot ID:: Q15067
Molecular weight:: 70135.205

Enzyme Details

5. D-aspartate oxidase

General function:: Involved in D-amino-acid oxidase activity
Specific function:: Selectively catalyzes the oxidative deamination of D-aspartate and its N-methylated derivative, N-methyl D-aspartate.
Gene Name:: DDO
Uniprot ID:: Q99489
Molecular weight:: 40992.53

Enzyme Details

6. Amine oxidase [flavin-containing] B

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOB preferentially degrades benzylamine and phenylethylamine.
Gene Name:: MAOB
Uniprot ID:: P27338
Molecular weight:: 58762.475

Enzyme Details

7. Amine oxidase [flavin-containing] A

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues. MAOA preferentially oxidizes biogenic amines such as 5-hydroxytryptamine (5-HT), norepinephrine and epinephrine.
Gene Name:: MAOA
Uniprot ID:: P21397
Molecular weight:: 59681.27

Enzyme Details

8. Xanthine dehydrogenase/oxidase

General function:: Involved in oxidoreductase activity
Specific function:: Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro).
Gene Name:: XDH
Uniprot ID:: P47989
Molecular weight:: 146422.99

Enzyme Details

9. Dihydroorotate dehydrogenase (quinone), mitochondrial

General function:: Involved in catalytic activity
Specific function:: Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
Gene Name:: DHODH
Uniprot ID:: Q02127
Molecular weight:: 42866.93

Enzyme Details

10. Peroxisomal acyl-coenzyme A oxidase 3

General function:: Involved in oxidoreductase activity, acting on the CH-CH group of donors
Specific function:: Oxidizes the CoA-esters of 2-methyl-branched fatty acids (By similarity).
Gene Name:: ACOX3
Uniprot ID:: O15254
Molecular weight:: 69574.075

Only showing the first 10 proteins. There are 80 proteins in total.

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Showing Compound Card for Hydrogen peroxide (CDB004947)

Structure for CDB004947 (Hydrogen peroxide)

Enzymes