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

Synonym	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
Albone ds	HMDB
Albone?	db_source
Deslime lp	HMDB
Dihydrogen peroxide	biospider
Dioxogen	biospider
Genoxide	db_source
Hydrogen peroxide	db_source
NSC 19892	db_source
T-stuff	HMDB

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

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

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

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Name	Gene Name	UniProt ID
Glutathione peroxidase 7	GPX7	Q96SL4
Epididymal secretory glutathione peroxidase	GPX5	O75715
Glutathione peroxidase 6	GPX6	P59796
Glutathione peroxidase 1	GPX1	P07203
Phospholipid hydroperoxide glutathione peroxidase, mitochondrial	GPX4	P36969
Glutathione peroxidase 3	GPX3	P22352
Glutathione peroxidase 2	GPX2	P18283
Peroxiredoxin-6	PRDX6	P30041
Peroxiredoxin-5, mitochondrial	PRDX5	P30044
NADPH oxidase activator 1	NOXA1	Q86UR1
NADPH oxidase organizer 1	NOXO1	Q8NFA2

Pathways

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
Phenylalanine and Tyrosine Metabolism	SMP00008	map00360
Plasmalogen Synthesis	SMP00479	Not Available
Riboflavin Metabolism	SMP00070	map00740
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
Metabolism and Physiological Effects of Xanthosine	SMP0124866	Not Available
Metabolism and Physiological Effects of Oxalic acid	SMP0124875	Not Available