Showing Compound Card for Oxygen (CDB004910)

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Record Information
Version1.0
Created at2020-04-17 18:49:32 UTC
Updated at2020-11-18 16:38:59 UTC
CannabisDB IDCDB004910
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameOxygen
DescriptionOxygen, 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. Oxygen is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
[OO]ChEBI
DioxygeneChEBI
DisauerstoffChEBI
e 948ChEBI
e-948ChEBI
e948ChEBI
Molecular oxygenChEBI
O2ChEBI
OXYGEN moleculeChEBI
DioxygenHMDB
Oxygen-16HMDB
Oxygen 16HMDB
Chemical FormulaO2
Average Molecular Weight32.0
Monoisotopic Molecular Weight31.9898
IUPAC Namedioxygen
Traditional Namesinglet oxygen
CAS Registry Number7782-44-7
SMILES
O=O
InChI Identifier
InChI=1S/O2/c1-2
InChI KeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
Chemical Taxonomy
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'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-218.4 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility37.5 mg/mL at 21 °CNot Available
logP0.65HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
logP-0.28ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.89 m³·mol⁻¹ChemAxon
Polarizability1.53 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSOxygen, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-001i-9000000000-2e78a9ed80eede2ed33aSpectrum
Predicted GC-MSOxygen, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSOxygen, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Transporters
Protein NameGene NameLocusUniprot IDDetails
Nitric oxide synthase, inducibleNOS217q11.2-q12P35228 details
Metal Bindings
Receptors
Protein NameGene NameLocusUniprot IDDetails
Tyrosine 3-monooxygenaseTH11p15.5P07101 details
Amiloride-sensitive amine oxidase [copper-containing]ABP17q36.1P19801 details
Nitric oxide synthase, brainNOS112q24.2-q24.31P29475 details
Prostaglandin G/H synthase 1PTGS19q32-q33.3P23219 details
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrialCYP27B112q13.1-q13.3O15528 details
25-hydroxycholesterol 7-alpha-hydroxylaseCYP7B18q21.3O75881 details
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrialCYP24A120q13Q07973 details
Superoxide dismutase [Cu-Zn]SOD121q22.11P00441 details
Lysyl oxidase homolog 2LOXL28p21.3Q9Y4K0 details
Egl nine homolog 2EGLN219q13.2Q96KS0 details
Transcriptional Factors
Concentrations Data
Not Available
HMDB IDHMDB0001377
DrugBank IDDB09140
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022589
KNApSAcK IDNot Available
Chemspider ID952
KEGG Compound IDC00007
BioCyc IDOXYGEN-MOLECULE
BiGG ID33493
Wikipedia LinkOxygen
METLIN ID3195
PubChem Compound977
PDB IDNot Available
ChEBI ID15379
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 318 proteins in total.

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Enzymes

Enzyme Details
1. Tyrosinase
General function:
Involved in oxidoreductase activity
Specific function:
This is a copper-containing oxidase that functions in the formation of pigments such as melanins and other polyphenolic compounds. Catalyzes the rate-limiting conversions of tyrosine to DOPA, DOPA to DOPA-quinone and possibly 5,6-dihydroxyindole to indole-5,6 quinone.
Gene Name:
TYR
Uniprot ID:
P14679
Molecular weight:
60392.69
Enzyme Details
2. 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
3. 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
4. Aldehyde oxidase
General function:
Involved in oxidoreductase activity
Specific function:
Not Available
Gene Name:
AOX1
Uniprot ID:
Q06278
Molecular weight:
147916.735
Enzyme Details
5. Lathosterol oxidase
General function:
Involved in iron ion binding
Specific function:
Catalyzes a dehydrogenation to introduce C5-6 double bond into lathosterol.
Gene Name:
SC5DL
Uniprot ID:
O75845
Molecular weight:
35300.55
Enzyme Details
6. Dimethylaniline monooxygenase [N-oxide-forming] 5
General function:
Involved in flavin-containing monooxygenase activity
Specific function:
In contrast with other forms of FMO it does not seem to be a drug-metabolizing enzyme.
Gene Name:
FMO5
Uniprot ID:
P49326
Molecular weight:
32480.04
Enzyme Details
7. 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
8. 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
9. Heme oxygenase 2
General function:
Involved in heme oxygenase (decyclizing) activity
Specific function:
Heme oxygenase cleaves the heme ring at the alpha methene bridge to form biliverdin. Biliverdin is subsequently converted to bilirubin by biliverdin reductase. Under physiological conditions, the activity of heme oxygenase is highest in the spleen, where senescent erythrocytes are sequestrated and destroyed. Heme oxygenase 2 could be implicated in the production of carbon monoxide in brain where it could act as a neurotransmitter.
Gene Name:
HMOX2
Uniprot ID:
P30519
Molecular weight:
36032.615
Enzyme Details
10. Squalene monooxygenase
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the first oxygenation step in sterol biosynthesis and is suggested to be one of the rate-limiting enzymes in this pathway.
Gene Name:
SQLE
Uniprot ID:
Q14534
Molecular weight:
63922.505

Transporters

Enzyme Details
1. Nitric oxide synthase, inducible
General function:
Involved in oxidoreductase activity
Specific function:
Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In macrophages, NO mediates tumoricidal and bactericidal actions. Also has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such COX2.
Gene Name:
NOS2
Uniprot ID:
P35228
Molecular weight:
131116.3

Only showing the first 10 proteins. There are 318 proteins in total.

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