Showing Compound Card for Carbon dioxide (CDB004931)

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Record Information
Version1.0
Created at2020-04-17 18:51:45 UTC
Updated at2020-12-07 19:11:18 UTC
CannabisDB IDCDB004931
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameCarbon dioxide
DescriptionCarbon dioxide, also known as [CO2] or e 290, 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'. Carbon dioxide is possibly neutral. Carbon dioxide exists in all living species, ranging from bacteria to humans. Carbon dioxide is an odorless tasting compound. Outside of the human body, Carbon dioxide has been detected, but not quantified in, several different foods, such as rowanberries, safflowers, triticales, strawberry guava, and rambutans. This could make carbon dioxide a potential biomarker for the consumption of these foods. Carbon dioxide is a potentially toxic compound. Carbon dioxide is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
[CO2]ChEBI
Carbonic anhydrideChEBI
CO2ChEBI
e 290ChEBI
e-290ChEBI
e290ChEBI
R-744ChEBI
Carbon oxideHMDB
Carbon-12 dioxideHMDB
Carbonic acid anhydrideHMDB
Carbonic acid gasHMDB
Anhydride, carbonicHMDB
Dioxide, carbonHMDB
Chemical FormulaCO2
Average Molecular Weight44.01
Monoisotopic Molecular Weight43.9898
IUPAC Namemethanedione
Traditional Namecarbon dioxide
CAS Registry Number124-38-9
SMILES
O=C=O
InChI Identifier
InChI=1S/CO2/c2-1-3
InChI KeyCURLTUGMZLYLDI-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
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Environmental role:

Industrial application:

Biological role:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-56.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.48 mg/mL at 25 °CNot Available
logP0.83HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
logP-0.63ALOGPS
logP-0.28ChemAxon
logS0.63ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.38 m³·mol⁻¹ChemAxon
Polarizability2.57 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-0006-9000000000-e1cf88df1066f206d01f2014-09-20View Spectrum
GC-MSCarbon dioxide, non-derivatized, GC-MS Spectrumsplash10-0006-9000000000-ffb540455919d1e43969Spectrum
GC-MSCarbon dioxide, non-derivatized, GC-MS Spectrumsplash10-0006-9000000000-ffb540455919d1e43969Spectrum
Predicted GC-MSCarbon dioxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0006-9000000000-9afc44eaa1fe34c4f458Spectrum
Predicted GC-MSCarbon dioxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCarbon dioxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
NMR
TypeDescriptionView
Pathways
Pathways
Protein Targets
Enzymes
Transporters
Protein NameGene NameLocusUniprot IDDetails
Fatty acid synthaseFASN17q25P49327 details
Cytosolic 10-formyltetrahydrofolate dehydrogenaseALDH1L13q21.3O75891 details
Mitochondrial 10-formyltetrahydrofolate dehydrogenaseALDH1L212q23.3Q3SY69 details
Metal Bindings
Receptors
Protein NameGene NameLocusUniprot IDDetails
Elongation of very long chain fatty acids protein 4ELOVL46q14Q9GZR5 details
Transcriptional Factors
Protein NameGene NameLocusUniprot IDDetails
Aspartyl/asparaginyl beta-hydroxylaseASPH8q12.1Q12797 details
Hypoxia-inducible factor 1-alpha inhibitorHIF1AN10q24Q9NWT6 details
Carbonic anhydrase 9CA99p13.3Q16790 details
Lysine-specific demethylase 2AKDM2A11q13.2Q9Y2K7 details
Lysine-specific demethylase 2BKDM2B12q24.31Q8NHM5 details
Concentrations Data
Not Available
HMDB IDHMDB0001967
DrugBank IDDB09157
Phenol Explorer Compound IDNot Available
FoodDB IDFDB014084
KNApSAcK IDNot Available
Chemspider ID274
KEGG Compound IDC00011
BioCyc IDCARBON-DIOXIDE
BiGG ID33506
Wikipedia LinkCarbon_dioxide
METLIN ID3199
PubChem Compound280
PDB IDNot Available
ChEBI ID16526
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 147 proteins in total.

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Enzymes

Enzyme Details
1. Pyruvate dehydrogenase E1 component subunit beta, mitochondrial
General function:
Involved in catalytic activity
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
PDHB
Uniprot ID:
P11177
Molecular weight:
39233.1
Enzyme Details
2. Malonyl-CoA decarboxylase, mitochondrial
General function:
Involved in malonyl-CoA decarboxylase activity
Specific function:
Catalyzes the conversion of malonyl-CoA to acetyl-CoA. In the fatty acid biosynthesis MCD selectively removes malonyl-CoA and thus assures that methyl-malonyl-CoA is the only chain elongating substrate for fatty acid synthase and that fatty acids with multiple methyl side chains are produced. In peroxisomes it may be involved in degrading intraperoxisomal malonyl-CoA, which is generated by the peroxisomal beta-oxidation of odd chain-length dicarboxylic fatty acids.
Gene Name:
MLYCD
Uniprot ID:
O95822
Molecular weight:
55002.94
Enzyme Details
3. 5-aminolevulinate synthase, erythroid-specific, mitochondrial
General function:
Involved in 5-aminolevulinate synthase activity
Specific function:
Not Available
Gene Name:
ALAS2
Uniprot ID:
P22557
Molecular weight:
64632.86
Enzyme Details
4. 5-aminolevulinate synthase, nonspecific, mitochondrial
General function:
Involved in 5-aminolevulinate synthase activity
Specific function:
Not Available
Gene Name:
ALAS1
Uniprot ID:
P13196
Molecular weight:
70580.325
Enzyme Details
5. Fatty acid synthase
General function:
Involved in transferase activity
Specific function:
Fatty acid synthetase catalyzes the formation of long-chain fatty acids from acetyl-CoA, malonyl-CoA and NADPH. This multifunctional protein has 7 catalytic activities and an acyl carrier protein.
Gene Name:
FASN
Uniprot ID:
P49327
Molecular weight:
273424.06
Enzyme Details
6. Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial
General function:
Involved in oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
PDHA1
Uniprot ID:
P08559
Molecular weight:
43295.255
Enzyme Details
7. Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial
General function:
Involved in oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
PDHA2
Uniprot ID:
P29803
Molecular weight:
42932.855
Enzyme Details
8. Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
Plays a role in valine and pyrimidine metabolism. Binds fatty acyl-CoA.
Gene Name:
ALDH6A1
Uniprot ID:
Q02252
Molecular weight:
57839.31
Enzyme Details
9. Dihydrolipoyl dehydrogenase, mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
Lipoamide dehydrogenase is a component of the glycine cleavage system as well as of the alpha-ketoacid dehydrogenase complexes. Involved in the hyperactivation of spermatazoa during capacitation and in the spermatazoal acrosome reaction.
Gene Name:
DLD
Uniprot ID:
P09622
Molecular weight:
54176.91
Enzyme Details
10. Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial
General function:
Involved in acyltransferase activity
Specific function:
The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.
Gene Name:
DLAT
Uniprot ID:
P10515
Molecular weight:
68996.03

Transporters

Enzyme Details
1. Fatty acid synthase
General function:
Involved in transferase activity
Specific function:
Fatty acid synthetase catalyzes the formation of long-chain fatty acids from acetyl-CoA, malonyl-CoA and NADPH. This multifunctional protein has 7 catalytic activities and an acyl carrier protein.
Gene Name:
FASN
Uniprot ID:
P49327
Molecular weight:
273424.06
Enzyme Details
2. Cytosolic 10-formyltetrahydrofolate dehydrogenase
General function:
Involved in formyltetrahydrofolate dehydrogenase activity
Specific function:
Not Available
Gene Name:
ALDH1L1
Uniprot ID:
O75891
Molecular weight:
99752.535
Enzyme Details
3. Mitochondrial 10-formyltetrahydrofolate dehydrogenase
General function:
Involved in formyltetrahydrofolate dehydrogenase activity
Specific function:
Not Available
Gene Name:
ALDH1L2
Uniprot ID:
Q3SY69
Molecular weight:
101744.98

Only showing the first 10 proteins. There are 147 proteins in total.

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