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
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-e1cf88df1066f206d01fSpectrum
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
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-eb2207f7400e9144fff7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-b7e6c1e22f1f90c5a8e0Spectrum
NMR
TypeDescriptionView
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
Pyruvate dehydrogenase E1 component subunit beta, mitochondrialPDHB3p21.1-p14.2P11177 details
Malonyl-CoA decarboxylase, mitochondrialMLYCD16q24O95822 details
5-aminolevulinate synthase, erythroid-specific, mitochondrialALAS2Xp11.21P22557 details
5-aminolevulinate synthase, nonspecific, mitochondrialALAS13p21.1P13196 details
Fatty acid synthaseFASN17q25P49327 details
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrialPDHA1Xp22.1P08559 details
Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrialPDHA24q22-q23P29803 details
Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrialALDH6A114q24.3Q02252 details
Dihydrolipoyl dehydrogenase, mitochondrialDLD7q31-q32P09622 details
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrialDLAT11q23.1P10515 details
TyrosinaseTYR11q14-q21P14679 details
Glutaryl-CoA dehydrogenase, mitochondrialGCDH19p13.2Q92947 details
Lysosomal acid lipase/cholesteryl ester hydrolaseLIPA10q23.2-q23.3P38571 details
Uroporphyrinogen decarboxylaseUROD1p34P06132 details
Coproporphyrinogen-III oxidase, mitochondrialCPOX3q12P36551 details
2-amino-3-carboxymuconate-6-semialdehyde decarboxylaseACMSD2q21.3Q8TDX5 details
Methylsterol monooxygenase 1MSMO14q32-q34Q15800 details
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylatingNSDHLXq28Q15738 details
Phytanoyl-CoA dioxygenase, peroxisomalPHYH10p13O14832 details
Aromatic-L-amino-acid decarboxylaseDDC7p12.2P20711 details
Peroxiredoxin-6PRDX61q25.1P30041 details
2-oxoisovalerate dehydrogenase subunit beta, mitochondrialBCKDHB6q14.1P21953 details
2-oxoisovalerate dehydrogenase subunit alpha, mitochondrialBCKDHA19q13.1-q13.2P12694 details
Prolyl 4-hydroxylase subunit alpha-2P4HA25q31O15460 details
Prolyl 4-hydroxylase subunit alpha-1P4HA110q21.3-q23.1P13674 details
Nicotinate-nucleotide pyrophosphorylase [carboxylating]QPRT16p11.2Q15274 details
Carbamoyl-phosphate synthase [ammonia], mitochondrialCPS12q35P31327 details
Gamma-butyrobetaine dioxygenaseBBOX111p14.2O75936 details
S-adenosylmethionine decarboxylase proenzymeAMD16q21P17707 details
2-oxoglutarate dehydrogenase, mitochondrialOGDH7p14-p13Q02218 details
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1PLOD11p36.22Q02809 details
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2PLOD23q24O00469 details
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 3PLOD37q22O60568 details
Liver carboxylesterase 1CES116q22.2P23141 details
Cocaine esteraseCES216q22.1O00748 details
Beta-ureidopropionaseUPB122q11.2Q9UBR1 details
Aminomethyltransferase, mitochondrialAMT3p21.2-p21.1P48728 details
Glutamate decarboxylase 2GAD210p11.23Q05329 details
Glutamate decarboxylase 1GAD12q31Q99259 details
Gamma-glutamyltranspeptidase 1GGT122q11.23P19440 details
Pyruvate kinase isozymes M1/M2PKM15q22P14618 details
Pyruvate kinase isozymes R/LPKLR1q21P30613 details
Glycine dehydrogenase [decarboxylating], mitochondrialGLDC9p22P23378 details
4-hydroxyphenylpyruvate dioxygenaseHPD12q24-qterP32754 details
3-keto-steroid reductaseHSD17B71q23P56937 details
Histidine decarboxylaseHDC15q21-q22P19113 details
Serine palmitoyltransferase 1SPTLC19q22.2O15269 details
Serine palmitoyltransferase 2SPTLC214q24.3O15270 details
Phosphoenolpyruvate carboxykinase [GTP], mitochondrialPCK214q11.2Q16822 details
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]PCK120q13.31P35558 details
Multifunctional protein ADE2PAICS4q12P22234 details
Isocitrate dehydrogenase [NADP], mitochondrialIDH215q26.1P48735 details
Isocitrate dehydrogenase [NAD] subunit beta, mitochondrialIDH3B20p13O43837 details
Isocitrate dehydrogenase [NADP] cytoplasmicIDH12q33.3O75874 details
Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrialIDH3A15q25.1-q25.2P50213 details
Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrialIDH3GXq28P51553 details
Cysteine sulfinic acid decarboxylaseCSAD12q13.11-q14.3Q9Y600 details
Cytosolic 10-formyltetrahydrofolate dehydrogenaseALDH1L13q21.3O75891 details
Diphosphomevalonate decarboxylaseMVD16q24.3P53602 details
Aspartyl/asparaginyl beta-hydroxylaseASPH8q12.1Q12797 details
Ornithine decarboxylaseODC12p25P11926 details
6-phosphogluconate dehydrogenase, decarboxylatingPGD1p36.22P52209 details
Uridine 5'-monophosphate synthaseUMPS3q13P11172 details
Vitamin K-dependent gamma-carboxylaseGGCX2p12P38435 details
Carbonic anhydrase 1CA18q21.2P00915 details
Carbonic anhydrase 2CA28q22P00918 details
Arginine decarboxylaseADC1p35.1Q96A70 details
Phosphatidylserine decarboxylase proenzymePISD22q12.2Q9UG56 details
Carbonic anhydrase 5A, mitochondrialCA5A16q24.3P35218 details
Carbonic anhydrase 3CA38q21.2P07451 details
Carbonic anhydrase 5B, mitochondrialCA5BXp21.1Q9Y2D0 details
Glycine cleavage system H protein, mitochondrialGCSHP23434 details
Carbonic anhydrase 12CA1215q22O43570 details
Phosphopantothenoylcysteine decarboxylasePPCDC15q24.2Q96CD2 details
Carbonic anhydrase 4CA417q23P22748 details
UDP-glucuronic acid decarboxylase 1UXS12q12.2Q8NBZ7 details
Carbonic anhydrase 9CA99p13.3Q16790 details
Carbonic anhydrase 13CA138q21.2Q8N1Q1 details
Trimethyllysine dioxygenase, mitochondrialTMLHEXq28Q9NVH6 details
Elongation of very long chain fatty acids protein 4ELOVL46q14Q9GZR5 details
Carbonic anhydrase 14CA141q21Q9ULX7 details
Carbonic anhydrase 7CA716q22.1P43166 details
Mitochondrial 10-formyltetrahydrofolate dehydrogenaseALDH1L212q23.3Q3SY69 details
Gamma-glutamyltransferase 6GGT617p13.2Q6P531 details
Putative uncharacterized protein PGDPGD1p36.3-p36.13A9Z1X1 details
Serine palmitoyltransferase 3SPTLC320p12.1Q9NUV7 details
2-oxoglutarate dehydrogenase-like, mitochondrialOGDHLQ9ULD0 details
Prolyl 4-hydroxylase subunit alpha-3P4HA311q13.4Q7Z4N8 details
Lysine-specific demethylase 2AKDM2A11q13.2Q9Y2K7 details
Lysine-specific demethylase 2BKDM2B12q24.31Q8NHM5 details
3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrialOXSM3p24.2Q9NWU1 details
GGT7 proteinGGT720q11.22A0PJJ9 details
Gamma-glutamyltransferase 5GGT522q11.23P36269 details
Carbonic anhydrase 6CA61p36.2P23280 details
Carboxylesterase 5ACES5A16q12.2Q6NT32 details
D-dopachrome decarboxylaseDDT22q11.23P30046 details
Carbonic anhydrase-related proteinCA8P35219 details
Transporters
Protein NameGene NameLocusUniprot IDDetails
Fatty acid synthaseFASN17q25P49327 details
Cytosolic 10-formyltetrahydrofolate dehydrogenaseALDH1L13q21.3O75891 details
Mitochondrial 10-formyltetrahydrofolate dehydrogenaseALDH1L212q23.3Q3SY69 details
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
Fatty acid synthaseFASN17q25P49327 details
2-amino-3-carboxymuconate-6-semialdehyde decarboxylaseACMSD2q21.3Q8TDX5 details
Methylsterol monooxygenase 1MSMO14q32-q34Q15800 details
Phytanoyl-CoA dioxygenase, peroxisomalPHYH10p13O14832 details
2-oxoisovalerate dehydrogenase subunit alpha, mitochondrialBCKDHA19q13.1-q13.2P12694 details
Prolyl 4-hydroxylase subunit alpha-2P4HA25q31O15460 details
Prolyl 4-hydroxylase subunit alpha-1P4HA110q21.3-q23.1P13674 details
Gamma-butyrobetaine dioxygenaseBBOX111p14.2O75936 details
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1PLOD11p36.22Q02809 details
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2PLOD23q24O00469 details
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 3PLOD37q22O60568 details
Beta-ureidopropionaseUPB122q11.2Q9UBR1 details
Pyruvate kinase isozymes M1/M2PKM15q22P14618 details
Pyruvate kinase isozymes R/LPKLR1q21P30613 details
4-hydroxyphenylpyruvate dioxygenaseHPD12q24-qterP32754 details
NADP-dependent malic enzymeME16q12P48163 details
NADP-dependent malic enzyme, mitochondrialME311cen-q22.3Q16798 details
NAD-dependent malic enzyme, mitochondrialME218q21P23368 details
Phosphoenolpyruvate carboxykinase [GTP], mitochondrialPCK214q11.2Q16822 details
Isocitrate dehydrogenase [NADP], mitochondrialIDH215q26.1P48735 details
Isocitrate dehydrogenase [NAD] subunit beta, mitochondrialIDH3B20p13O43837 details
Isocitrate dehydrogenase [NADP] cytoplasmicIDH12q33.3O75874 details
Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrialIDH3A15q25.1-q25.2P50213 details
Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrialIDH3GXq28P51553 details
Carbonic anhydrase 1CA18q21.2P00915 details
Carbonic anhydrase 2CA28q22P00918 details
Carbonic anhydrase 5A, mitochondrialCA5A16q24.3P35218 details
Carbonic anhydrase 3CA38q21.2P07451 details
Carbonic anhydrase 5B, mitochondrialCA5BXp21.1Q9Y2D0 details
Carbonic anhydrase 12CA1215q22O43570 details
Carbonic anhydrase 4CA417q23P22748 details
Carbonic anhydrase 9CA99p13.3Q16790 details
Carbonic anhydrase 13CA138q21.2Q8N1Q1 details
Trimethyllysine dioxygenase, mitochondrialTMLHEXq28Q9NVH6 details
Carbonic anhydrase 14CA141q21Q9ULX7 details
Carbonic anhydrase 7CA716q22.1P43166 details
Prolyl 4-hydroxylase subunit alpha-3P4HA311q13.4Q7Z4N8 details
Lysine-specific demethylase 2AKDM2A11q13.2Q9Y2K7 details
Lysine-specific demethylase 2BKDM2B12q24.31Q8NHM5 details
Carbonic anhydrase 6CA61p36.2P23280 details
Carbonic anhydrase-related proteinCA8P35219 details
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.

Enzymes

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
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
General function:
Involved in 5-aminolevulinate synthase activity
Specific function:
Not Available
Gene Name:
ALAS2
Uniprot ID:
P22557
Molecular weight:
64632.86
General function:
Involved in 5-aminolevulinate synthase activity
Specific function:
Not Available
Gene Name:
ALAS1
Uniprot ID:
P13196
Molecular weight:
70580.325
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
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
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
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
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
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

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
General function:
Involved in formyltetrahydrofolate dehydrogenase activity
Specific function:
Not Available
Gene Name:
ALDH1L1
Uniprot ID:
O75891
Molecular weight:
99752.535
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.