Showing Compound Hydrogen peroxide (H2O2) (FDB014562)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:20 UTC

Update date

2024-11-29 22:26:13 UTC

Primary ID

FDB014562

Secondary Accession Numbers

FDB030909

Chemical Information

FooDB Name

Hydrogen peroxide (H2O2)

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.

CAS Number

7722-84-1

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Showing 1 to 10 of 59 entries

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

Chemical Formula

H2O2

IUPAC name

peroxol

InChI Identifier

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

InChI Key

MHAJPDPJQMAIIY-UHFFFAOYSA-N

Isomeric SMILES

Average Molecular Weight

34.0147

Monoisotopic Molecular Weight

34.005479308

Classification

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

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Bp 150.2° (extrap.)	DFC
Charge	Not Available
Density	d-1.7 1.64	DFC
Experimental logP	Not Available
Experimental pKa	pKa 11.65	DFC
Experimental Water Solubility	1000 mg/mL at 25 oC	RADDING,SB et al. (1977)
Isoelectric point	Not Available
Mass Composition	H 5.93%; O 94.07%	DFC
Melting Point	Mp -0.4°	DFC
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Hydrogen peroxide (H2O2), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-9000000000-4749d46780bc552fb9af	Spectrum
Predicted GC-MS	Hydrogen peroxide (H2O2), non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Hydrogen peroxide (H2O2), 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

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

16240

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB03125

CRC / DFC (Dictionary of Food Compounds) ID

JSR40-H:JSR40-H

EAFUS ID

1718

Dr. Duke ID

Not Available

BIGG ID

33570

KNApSAcK ID

Not Available

HET ID

PEO

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Hydrogen_peroxide

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

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Name	Gene Name	UniProt ID
Epididymal secretory glutathione peroxidase	GPX5	O75715
Glutathione peroxidase 1	GPX1	P07203
Glutathione peroxidase 2	GPX2	P18283
Glutathione peroxidase 3	GPX3	P22352
Glutathione peroxidase 6	GPX6	P59796
Glutathione peroxidase 7	GPX7	Q96SL4
NADPH oxidase activator 1	NOXA1	Q86UR1
NADPH oxidase organizer 1	NOXO1	Q8NFA2
Peroxiredoxin-5, mitochondrial	PRDX5	P30044
Peroxiredoxin-6	PRDX6	P30041

Showing 1 to 10 of 11 entries

Pathways

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Name	SMPDB Link	KEGG Link
Arachidonic Acid Metabolism	SMP00075	map00590
D-Arginine and D-Ornithine Metabolism	SMP00036	map00472
Degradation of Superoxides	SMP00468	Not Available
Ethanol Degradation	SMP00449	Not Available
Glycine and Serine Metabolism	SMP00004	map00260
Histidine Metabolism	SMP00044	map00340
Metabolism and Physiological Effects of Oxalic acid	SMP0124875	Not Available
Metabolism and Physiological Effects of Phenylacetic Acid	SMP0123256	Not Available
Metabolism and Physiological Effects of Uric acid	SMP0124845	Not Available
Metabolism and Physiological Effects of Xanthine	SMP0124865	Not Available