Showing Compound Oxygen (FDB022589)

Record Information

Version

1.0

Creation date

2011-09-21 00:16:23 UTC

Update date

2024-11-29 22:27:57 UTC

Primary ID

FDB022589

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Oxygen

Description

Oxygen, also known as dioxygene or O2, belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. Oxygen is possibly neutral. Oxygen exists in all living species, ranging from bacteria to humans. In humans, oxygen is involved in ibuprofen action pathway. Outside of the human body, Oxygen has been detected, but not quantified in, several different foods, such as epazotes, oval-leaf huckleberries, barley, alaska blueberries, and boysenberries. This could make oxygen a potential biomarker for the consumption of these foods.

CAS Number

7782-44-7

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
[OO]	ChEBI
Dioxygene	ChEBI
Disauerstoff	ChEBI
e 948	ChEBI
e-948	ChEBI
e948	ChEBI
Molecular oxygen	ChEBI
O2	ChEBI
OXYGEN molecule	ChEBI
Dioxygen	MeSH
Oxygen-16	MeSH
Oxygen 16	MeSH
dioxygen	hmdb
molecular oxygen	hmdb
Oxygen	hmdb
Oxygen molecule	hmdb

Predicted Properties

Property	Value	Source
logP	-0.28	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	34.14 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	2.89 m³·mol⁻¹	ChemAxon
Polarizability	1.53 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

IUPAC name

dioxygen

InChI Identifier

InChI=1S/O2/c1-2

InChI Key

MYMOFIZGZYHOMD-UHFFFAOYSA-N

Isomeric SMILES

O=O

Average Molecular Weight

31.9988

Monoisotopic Molecular Weight

31.989829244

Classification

Description

Belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal oxides

Direct Parent

Other non-metal oxides

Alternative Parents

Inorganic oxides

Substituents

Other non-metal oxide
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

diatomic oxygen (CHEBI:15379 )
elemental molecule (CHEBI:15379 )
a non-metabolic compound (OXYGEN-MOLECULE )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Biological:

Plant:

Animal

Biological location:

Tissue and substructures:

All tissues

Biofluid and excreta:

Blood

Cell and elements:

Extracellular

Subcellular:

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	Not Available
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Oxygen, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-9000000000-2e78a9ed80eede2ed33a	Spectrum
Predicted GC-MS	Oxygen, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Oxygen, 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	splash10-001i-9000000000-a9a93dd42f2cfa0b34c4	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-a9a93dd42f2cfa0b34c4	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-a9a93dd42f2cfa0b34c4	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-5e864878b295db174473	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-5e864878b295db174473	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-5e864878b295db174473	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-9878c3ba827de483e23b	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-9878c3ba827de483e23b	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-9878c3ba827de483e23b	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

15379

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB01377

CRC / DFC (Dictionary of Food Compounds) ID

Not Available

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

33493

KNApSAcK ID

Not Available

HET ID

OXY

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Oxygen

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
Cytochrome P450, family 1, subfamily A, polypeptide 1	CYP1A1	A0N0X8
Cytochrome P450 2D6	CYP2D6	Q6NWU0
Tyrosine 3-monooxygenase	TH	P07101
Phenylalanine-4-hydroxylase	PAH	P00439
Lysine-specific demethylase 2A	KDM2A	Q9Y2K7
Lysine-specific demethylase 2B	KDM2B	Q8NHM5
Prolyl 4-hydroxylase subunit alpha-2	P4HA2	O15460
Prolyl 4-hydroxylase subunit alpha-1	P4HA1	P13674
Prolyl 4-hydroxylase subunit alpha-3	P4HA3	Q7Z4N8
Egl nine homolog 1	EGLN1	Q9GZT9
Egl nine homolog 2	EGLN2	Q96KS0
Egl nine homolog 3	EGLN3	Q9H6Z9
Transmembrane prolyl 4-hydroxylase	P4HTM	Q9NXG6
Peroxiredoxin-6	PRDX6	P30041
Tryptophan 5-hydroxylase 1	TPH1	P17752
Tryptophan 5-hydroxylase 2	TPH2	Q8IWU9
NOS1 mutant	NOS1	B3VK56
CP protein	CP	A5PL27
1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase	ADI1	Q9BV57
3-hydroxyanthranilate 3,4-dioxygenase	HAAO	P46952
Cytochrome c oxidase subunit 7A1, mitochondrial	COX7A1	P24310
Cytochrome c oxidase subunit 6A2, mitochondrial	COX6A2	Q02221
Cytochrome c oxidase subunit 7B, mitochondrial	COX7B	P24311
Cytochrome c oxidase subunit 7C, mitochondrial	COX7C	P15954
Cytochrome c oxidase subunit 5B, mitochondrial	COX5B	P10606
Cytochrome c oxidase subunit 6B1	COX6B1	P14854
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial	COX4I1	P13073
Cytochrome c oxidase subunit 8A, mitochondrial	COX8A	P10176
Cytochrome c oxidase subunit 6C	COX6C	P09669
Cytochrome c oxidase subunit 7A2, mitochondrial	COX7A2	P14406
Cytochrome c oxidase subunit 7B2, mitochondrial	COX7B2	Q8TF08
Cytochrome c oxidase subunit 6B2	COX6B2	Q6YFQ2
Cytochrome c oxidase subunit 7A-related protein, mitochondrial	COX7A2L	O14548
Cytochrome c oxidase subunit 8C, mitochondrial	COX8C	Q7Z4L0
Cytochrome c oxidase subunit 6A1, mitochondrial	COX6A1	P12074
Cytochrome c oxidase subunit 4 isoform 2, mitochondrial	COX4I2	Q96KJ9
Putative uncharacterized protein DKFZp686B0215	DKFZp686B0215	Q5HYI4
Deoxyhypusine hydroxylase	DOHH	Q9BU89
Cytochrome P450, family 21, subfamily A, polypeptide 2	CYP21A2	Q08AG9

Pathways

Name	SMPDB Link	KEGG Link
Arachidonic Acid Metabolism	SMP00075	map00590
Carnitine Synthesis	SMP00465	Not Available
Catecholamine Biosynthesis	SMP00012	map00350
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
Mitochondrial Electron Transport Chain	SMP00355	map00190
Phenylalanine and Tyrosine Metabolism	SMP00008	map00360
Plasmalogen Synthesis	SMP00479	Not Available
Riboflavin Metabolism	SMP00070	map00740
Vitamin K Metabolism	SMP00464	Not Available
Metabolism and Physiological Effects of Phenylacetylglutamine	SMP0123208	Not Available
Metabolism and Physiological Effects of Para-cresol	SMP0123214	Not Available
Metabolism and Physiological Effects of Phenylacetic Acid	SMP0123256	Not Available
Metabolism and Physiological Effects of Para-cresyl glucuronide	SMP0123299	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
Metabolism and Physiological Effects of Kynurenine	SMP0125524	Not Available
Metabolism and Physiological Effects of 4-Hydroxyhippuric Acid	SMP0125537	Not Available
Metabolsim and Physiological Effects of 4-Ethylphenylsulfate	SMP0125541	Not Available
Metabolism and Physiological Effects of O-Sulfotyrosine	SMP0126811	Not Available
Metabolism and Physiological Effects of p-Cresol sulphate	SMP0126850	Not Available
Metabolism and Physiological Effects of 2-Aminobenzoic acid	SMP0126869	Not Available
Metabolism and Physiological Effects of 4-Hydroxyphenylacetic acid	SMP0126879	Not Available