Cannabis Compound Database: Showing Compound Card for Hydrogen carbonate (CDB005102)

Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Protein target Pathways Concentrations Links References enzymes (24)transporters (11) Show 60 proteins XML

Record Information

Version

1.0

Created at

2020-04-17 19:09:31 UTC

Updated at

2020-12-07 19:11:35 UTC

CannabisDB ID

CDB005102

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

Hydrogen carbonate

Description

Hydrogen carbonate, also known as H2CO3 or [co(OH)2], belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group. Bicarbonate also acts to regulate pH in the small intestine. Hydrogen carbonate is a very weakly acidic compound (based on its pKa). A parallel example is sodium bisulfite (NaHSO3). Hydrogen carbonate exists in all living species, ranging from bacteria to humans. In humans, hydrogen carbonate is involved in the metabolic disorder called the hartnup disorder pathway. Outside of the human body, Hydrogen carbonate has been detected, but not quantified in, several different foods, such as lovages, lima beans, tree ferns, mountain yams, and burbots. This could make hydrogen carbonate a potential biomarker for the consumption of these foods. As such it is an important sink in the carbon cycle. It is isoelectronic with nitric acid HNO3. Hydrogen carbonate is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[CO(OH)2]	ChEBI
Dihydrogen carbonate	ChEBI
H2CO3	ChEBI
Koehlensaeure	ChEBI
Dihydrogen carbonic acid	Generator
Hydrogen carbonic acid	Generator
Carbonate	Generator, HMDB
Acid OF air	HMDB
Aerial acid	HMDB
Bisodium carbonate	HMDB
Calcined	HMDB
Carbonic acid sodium salt	HMDB
Consal	HMDB
Crystol carbonate	HMDB
Disodium carbonate	HMDB
Mild alkali	HMDB
Na-X	HMDB
Oxyper	HMDB
Sal soda	HMDB
Salt OF soda	HMDB
Scotch soda	HMDB
Soda	HMDB
Soda ash	HMDB
Sodium carbonate	HMDB
Sodium carbonate anhydrous	HMDB
Sodium carbonate hydrated	HMDB
Sodium carbonate peroxyhydrate	HMDB
Solvay soda	HMDB
Trona soda ash	HMDB
Tronalight light soda ash	HMDB
Acid, carbonic	MeSH, HMDB
Carbonic acid	MeSH, HMDB
Ions, bicarbonate	MeSH
Carbonate, hydrogen	MeSH
Carbonates, hydrogen	MeSH
Bicarbonate ion	MeSH
Hydrogen carbonates	MeSH
Bicarbonates	MeSH
Bicarbonate ions	MeSH
Carbonic acid ions	MeSH
Ions, carbonic acid	MeSH

Chemical Formula

CH₂O₃

Average Molecular Weight

62.02

Monoisotopic Molecular Weight

62.0004

IUPAC Name

carbonic acid

Traditional Name

carbonic acid

CAS Registry Number

463-79-6

SMILES

OC(O)=O

InChI Identifier

InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)

InChI Key

BVKZGUZCCUSVTD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic carbonic acids and derivatives

Sub Class

Organic carbonic acids

Direct Parent

Organic carbonic acids

Alternative Parents

Substituents

Carbonic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

carbon oxoacid (CHEBI:28976 )
chalcocarbonic acid (CHEBI:28976 )
a small molecule (H2CO3 )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Biological:

Animal

Plant:

Biological location:

Role

Industrial application:

Household products:

Antimicrobial agent

Pharmaceutical industry:

Biological role:

Molecular messenger:

Signaling molecule

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	720 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	12.8 mg/mL (cold water)	MERCK INDEX (1996)
logP	0.0	Wikipedia

Predicted Properties

Property	Value	Source
logP	0.6	ALOGPS
logP	0.25	ChemAxon
logS	0.57	ALOGPS
pKa (Strongest Acidic)	6.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	9.5 m³·mol⁻¹	ChemAxon
Polarizability	4.23 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

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Hydrogen carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-03di-9000000000-310dbbc64fba7d9c667e	Spectrum
Predicted GC-MS	Hydrogen carbonate, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-00du-9300000000-b9ab1da5629a3dfff55f	Spectrum
Predicted GC-MS	Hydrogen carbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Hydrogen carbonate, TMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Hydrogen carbonate, TBDMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Hydrogen carbonate, TBDMS_2_1, 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	splash10-03di-9000000000-53429210d3161a8e792f	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9000000000-65bbb10c2768f3746b62	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-9000000000-b6afca3e3ac002546879	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-0ef3797aeb5276c64c90	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-5b50453541e6f14e35be	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-9000000000-5b50453541e6f14e35be	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-9000000000-3142be69389832d3eb4b	2021-09-21	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-9000000000-3142be69389832d3eb4b	2021-09-21	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-9000000000-3142be69389832d3eb4b	2021-09-21	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-9000000000-65a6c4ac46a60ccd0a02	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-9000000000-75ba60e3edf4ccfcfbe0	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-9000000000-a1e091bb1f5fa6e9cbc7	2021-09-25	View Spectrum

NMR

Not Available

Pathways

Name	SMPDB/Pathwhiz	KEGG
Citric Acid Cycle
Urea Cycle
Threonine and 2-Oxobutanoate Degradation		Not Available
Alanine Metabolism
Primary Hyperoxaluria Type I		Not Available

Protein Targets

Enzymes

Protein Name	Gene Name	Locus	Uniprot ID	Details
Acetyl-CoA carboxylase 2	ACACB	12q24.11	O00763	details
Pyruvate carboxylase, mitochondrial	PC	11q13.4-q13.5	P11498	details
Acetyl-CoA carboxylase 1	ACACA	17q21	Q13085	details
Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial	ALDH6A1	14q24.3	Q02252	details
Bile salt-activated lipase	CEL	9q34.3	P19835	details
Propionyl-CoA carboxylase beta chain, mitochondrial	PCCB	3q21-q22	P05166	details
Propionyl-CoA carboxylase alpha chain, mitochondrial	PCCA	13q32	P05165	details
Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial	MCCC2	5q12-q13	Q9HCC0	details
Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial	MCCC1	3q27	Q96RQ3	details
Inositol polyphosphate 5-phosphatase OCRL-1	OCRL	Xq25	Q01968	details
Carbonic anhydrase 1	CA1	8q21.2	P00915	details
Carbonic anhydrase 2	CA2	8q22	P00918	details
Carbonic anhydrase 5A, mitochondrial	CA5A	16q24.3	P35218	details
Carbonic anhydrase 3	CA3	8q21.2	P07451	details
Carbonic anhydrase 5B, mitochondrial	CA5B	Xp21.1	Q9Y2D0	details
Carbonic anhydrase 12	CA12	15q22	O43570	details
Carbonic anhydrase 4	CA4	17q23	P22748	details
Carbonic anhydrase 9	CA9	9p13.3	Q16790	details
Carbonic anhydrase 13	CA13	8q21.2	Q8N1Q1	details
Adenylate cyclase type 10	ADCY10	1q24	Q96PN6	details
Carbonic anhydrase 14	CA14	1q21	Q9ULX7	details
Carbonic anhydrase 7	CA7	16q22.1	P43166	details
Carbonic anhydrase 6	CA6	1p36.2	P23280	details
Carbonic anhydrase-related protein	CA8		P35219	details

Transporters

Protein Name	Gene Name	Locus	Uniprot ID	Details
Cystic fibrosis transmembrane conductance regulator	CFTR	7q31.2	P13569	details
Electrogenic sodium bicarbonate cotransporter 1	SLC4A4	4q21	Q9Y6R1	details
Sodium-driven chloride bicarbonate exchanger	SLC4A10	2q23-q24	Q6U841	details
Chloride anion exchanger	SLC26A3	7q31	P40879	details
Sodium bicarbonate cotransporter 3	SLC4A7	3p22	Q9Y6M7	details
Solute carrier family 26 member 9	SLC26A9	1q32.1	Q7LBE3	details
Anion exchange transporter	SLC26A7	8q23	Q8TE54	details
Electrogenic sodium bicarbonate cotransporter 4	SLC4A5	2p13	Q9BY07	details
Solute carrier family 26 member 10	SLC26A10	12q13	Q8NG04	details
Prestin	SLC26A5	7q22.1	P58743	details
Sodium/hydrogen exchanger 10	SLC9A10	3q13.2	Q4G0N8	details

Metal Bindings

Protein Name	Gene Name	Locus	Uniprot ID	Details
Acetyl-CoA carboxylase 2	ACACB	12q24.11	O00763	details
Pyruvate carboxylase, mitochondrial	PC	11q13.4-q13.5	P11498	details
Acetyl-CoA carboxylase 1	ACACA	17q21	Q13085	details
Propionyl-CoA carboxylase alpha chain, mitochondrial	PCCA	13q32	P05165	details
Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial	MCCC1	3q27	Q96RQ3	details
Lactotransferrin	LTF	3p21.31	P02788	details
Carbonic anhydrase 1	CA1	8q21.2	P00915	details
Carbonic anhydrase 2	CA2	8q22	P00918	details
Serotransferrin	TF	3q22.1	P02787	details
Carbonic anhydrase 5A, mitochondrial	CA5A	16q24.3	P35218	details
Carbonic anhydrase 3	CA3	8q21.2	P07451	details
Carbonic anhydrase 5B, mitochondrial	CA5B	Xp21.1	Q9Y2D0	details
Carbonic anhydrase 12	CA12	15q22	O43570	details
Carbonic anhydrase 4	CA4	17q23	P22748	details
Carbonic anhydrase 9	CA9	9p13.3	Q16790	details
Carbonic anhydrase 13	CA13	8q21.2	Q8N1Q1	details
CAD protein	CAD	2p22-p21	P27708	details
Adenylate cyclase type 10	ADCY10	1q24	Q96PN6	details
Carbonic anhydrase 14	CA14	1q21	Q9ULX7	details
Carbonic anhydrase 7	CA7	16q22.1	P43166	details
Carbonic anhydrase 6	CA6	1p36.2	P23280	details
Carbonic anhydrase-related protein	CA8		P35219	details

Receptors

Protein Name	Gene Name	Locus	Uniprot ID	Details
Inositol polyphosphate 5-phosphatase OCRL-1	OCRL	Xq25	Q01968	details
Sodium bicarbonate cotransporter 3	SLC4A7	3p22	Q9Y6M7	details

Transcriptional Factors

Protein Name	Gene Name	Locus	Uniprot ID	Details
Carbonic anhydrase 9	CA9	9p13.3	Q16790	details

Concentrations Data

Not Available

External Links

HMDB ID

HMDB0000595

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023191

KNApSAcK ID

Not Available

Chemspider ID

747

KEGG Compound ID

C01353

BioCyc ID

Not Available

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

28976

References

General References

Not Available

Only showing the first 10 proteins. There are 60 proteins in total.

Show All

Enzymes

Enzyme Details

1. Acetyl-CoA carboxylase 2

General function:: Involved in acetyl-CoA carboxylase activity
Specific function:: ACC-beta may be involved in the provision of malonyl-CoA or in the regulation of fatty acid oxidation, rather than fatty acid biosynthesis. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:: ACACB
Uniprot ID:: O00763
Molecular weight:: 276538.575

Enzyme Details

2. Pyruvate carboxylase, mitochondrial

General function:: Involved in catalytic activity
Specific function:: Pyruvate carboxylase catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second. Catalyzes in a tissue specific manner, the initial reactions of glucose (liver, kidney) and lipid (adipose tissue, liver, brain) synthesis from pyruvate.
Gene Name:: PC
Uniprot ID:: P11498
Molecular weight:: 129632.565

Enzyme Details

3. Acetyl-CoA carboxylase 1

General function:: Involved in acetyl-CoA carboxylase activity
Specific function:: Catalyzes the rate-limiting reaction in the biogenesis of long-chain fatty acids. Carries out three functions: biotin carboxyl carrier protein, biotin carboxylase and carboxyltransferase.
Gene Name:: ACACA
Uniprot ID:: Q13085
Molecular weight:: 269997.01

Enzyme Details

4. 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

5. Bile salt-activated lipase

General function:: Lipid transport and metabolism
Specific function:: Catalyzes fat and vitamin absorption. Acts in concert with pancreatic lipase and colipase for the complete digestion of dietary triglycerides.
Gene Name:: CEL
Uniprot ID:: P19835
Molecular weight:: 79666.385

Enzyme Details

6. Propionyl-CoA carboxylase beta chain, mitochondrial

General function:: Involved in ligase activity
Specific function:: Not Available
Gene Name:: PCCB
Uniprot ID:: P05166
Molecular weight:: 58215.13

Enzyme Details

7. Propionyl-CoA carboxylase alpha chain, mitochondrial

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: PCCA
Uniprot ID:: P05165
Molecular weight:: 80058.295

Enzyme Details

8. Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial

General function:: Involved in ligase activity
Specific function:: Not Available
Gene Name:: MCCC2
Uniprot ID:: Q9HCC0
Molecular weight:: 61332.65

Enzyme Details

9. Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: MCCC1
Uniprot ID:: Q96RQ3
Molecular weight:: 80472.45

Enzyme Details

10. Inositol polyphosphate 5-phosphatase OCRL-1

General function:: Involved in inositol or phosphatidylinositol phosphatase activity
Specific function:: Converts phosphatidylinositol 4,5-bisphosphate to phosphatidylinositol 4-phosphate. Also converts inositol 1,4,5-trisphosphate to inositol 1,4-bisphosphate and inositol 1,3,4,5-tetrakisphosphate to inositol 1,3,4-trisphosphate. May function in lysosomal membrane trafficking by regulating the specific pool of phosphatidylinositol 4,5-bisphosphate that is associated with lysosomes. Involved in primary cilia assembly.
Gene Name:: OCRL
Uniprot ID:: Q01968
Molecular weight:: 104203.78

Transporters

Enzyme Details

1. Cystic fibrosis transmembrane conductance regulator

General function:: Involved in ATP binding
Specific function:: Involved in the transport of chloride ions. May regulate bicarbonate secretion and salvage in epithelial cells by regulating the SLC4A7 transporter. Can inhibit the chloride channel activity of ANO1.
Gene Name:: CFTR
Uniprot ID:: P13569
Molecular weight:: 168139.895

Enzyme Details

2. Electrogenic sodium bicarbonate cotransporter 1

General function:: Involved in anion transport
Specific function:: Electrogenic sodium/bicarbonate cotransporter with a Na(+):HCO3(-) stoichiometry varying from 1:2 to 1:3. May regulate bicarbonate influx/efflux at the basolateral membrane of cells and regulate intracellular pH
Gene Name:: SLC4A4
Uniprot ID:: Q9Y6R1
Molecular weight:: 121459.4

Enzyme Details

3. Sodium-driven chloride bicarbonate exchanger

General function:: Involved in inorganic anion exchanger activity
Specific function:: Electrogenic sodium/bicarbonate cotransporter in exchange for intracellular chloride. Plays an important role in regulating intracellular pH
Gene Name:: SLC4A10
Uniprot ID:: Q6U841
Molecular weight:: 125945.1

Enzyme Details

4. Chloride anion exchanger

General function:: Involved in secondary active sulfate transmembrane transporter activity
Specific function:: Chloride/bicarbonate exchanger. Involved in absorbtion of in the colon. Helps mediate electrolyte and fluid absorption
Gene Name:: SLC26A3
Uniprot ID:: P40879
Molecular weight:: 84504.0

Enzyme Details

5. Sodium bicarbonate cotransporter 3

General function:: Involved in anion transport
Specific function:: Electroneutral sodium- and bicarbonate-dependent cotransporter with a Na(+):HCO3(-) 1:1 stoichiometry. Regulates intracellular pH and may play a role in bicarbonate salvage in secretory epithelia. May also have an associated sodium channel activity.
Gene Name:: SLC4A7
Uniprot ID:: Q9Y6M7
Molecular weight:: 127358.16

Enzyme Details

6. Solute carrier family 26 member 9

General function:: Involved in secondary active sulfate transmembrane transporter activity
Specific function:: DIDS- and thiosulfate- sensitive anion exchanger mediating chloride, sulfate and oxalate transport. Mediates chloride/bicarbonate exchange or chloride-independent bicarbonate extrusion thus assuring bicarbonate secretion. Inhibited by ammonium and thiosulfate
Gene Name:: SLC26A9
Uniprot ID:: Q7LBE3
Molecular weight:: 86987.5

Enzyme Details

7. Anion exchange transporter

General function:: Involved in transporter activity
Specific function:: Acts as a sodium-independent DIDS-sensitive anion exchanger mediating bicarbonate, chloride, sulfate and oxalate transport. May play a role in the maintenance of the electrolyte and acid-base homeostasis in the kidney, by acting as a distal excretory segment-specific anion exchanger. Plays a major role in gastric acid secretion
Gene Name:: SLC26A7
Uniprot ID:: Q8TE54
Molecular weight:: 72212.2

Enzyme Details

8. Electrogenic sodium bicarbonate cotransporter 4

General function:: Involved in anion transport
Specific function:: Mediates sodium- and bicarbonate-dependent electrogenic sodium bicarbonate cotransport, with a Na(+):HCO3(-) stoichiometry of 2:1. May have a housekeeping function in regulating the pH of tissues in which it is expressed. May play a role in mediating Na(+):HCO3(-) cotransport in hepatocytes and intrahepatic cholangiocytes. Also may be important in protecting the renal paranchyma from alterations in urine pH
Gene Name:: SLC4A5
Uniprot ID:: Q9BY07
Molecular weight:: 126254.0

Enzyme Details

9. Solute carrier family 26 member 10

General function:: Involved in transporter activity
Specific function:: Chloride/bicarbonate exchanger
Gene Name:: SLC26A10
Uniprot ID:: Q8NG04
Molecular weight:: 60058.5

Enzyme Details

10. Prestin

General function:: Involved in secondary active sulfate transmembrane transporter activity
Specific function:: Motor protein that converts auditory stimuli to length changes in outer hair cells and mediates sound amplification in the mammalian hearing organ. Prestin is a bidirectional voltage- to-force converter, it can operate at microsecond rates. It uses cytoplasmic anions as extrinsic voltage sensors, probably chloride and bicarbonate. After binding to a site with millimolar affinity, these anions are translocated across the membrane in response to changes in the transmembrane voltage. They move towards the extracellular surface following hyperpolarization, and towards the cytoplasmic side in response to depolarization. As a consequence, this translocation triggers conformational changes in the protein that ultimately alter its surface area in the plane of the plasma membrane. The area decreases when the anion is near the cytoplasmic face of the membrane (short state), and increases when the ion has crossed the membrane to the outer surface (long state). So, it acts as an incomplete transporter. It swings anions across the membrane, but does not allow these anions to dissociate and escape to the extracellular space. Salicylate, an inhibitor of outer hair cell motility, acts as competitive antagonist at the prestin anion-binding site
Gene Name:: SLC26A5
Uniprot ID:: P58743
Molecular weight:: 81263.0

Only showing the first 10 proteins. There are 60 proteins in total.

Show All

Showing Compound Card for Hydrogen carbonate (CDB005102)

Structure for CDB005102 (Hydrogen carbonate)

Enzymes

Transporters