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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:47 UTC
Update Date2020-02-26 21:24:02 UTC
HMDB IDHMDB0002306
Secondary Accession Numbers
  • HMDB0002162
  • HMDB02162
  • HMDB02306
Metabolite Identification
Common NameHydrochloric acid
DescriptionHydrochloric acid constitutes the majority of gastric acid, the human digestive fluid. In a complex process and at a large energetic burden, it is secreted by parietal cells (also known as oxyntic cells). These cells contain an extensive secretory network (called canaliculi) from which the HCl is secreted into the lumen of the stomach. They are part of the epithelial fundic glands (also known as oxyntic glands) in the stomach. The chemical compound hydrochloric acid is the aqueous (water-based) solution of hydrogen chloride gas (HCl). It is a strong acid, the major component of gastric acid and of wide industrial use. Hydrochloric acid must be handled with appropriate safety precautions because it is a highly corrosive liquid. Hydrochloric acid, or muriatic acid by its historical but still occasionally used name, has been an important and frequently used chemical from early history and was discovered by the alchemist Jabir ibn Hayyan around the year 800. Hydrogen chloride, also known under the name HCl, is a highly corrosive and toxic colorless gas that forms white fumes on contact with humidity. These fumes consist of hydrochloric acid which forms when hydrogen chloride dissolves in water. The hydrogen chloride molecule HCl is a simple diatomic molecule consisting of a hydrogen atom H and a chlorine atom Cl connected with a covalent single bond. Since the chlorine atom is much more electronegative than the hydrogen atom, the covalent bond between the atoms is quite polar. Hydrogen chloride forms corrosive hydrochloric acid on contact with body tissue. Inhalation of the fumes can cause coughing, choking, inflammation of the nose, throat, and upper respiratory tract, and in severe cases, pulmonary edema, circulatory system failure, and death. Skin contact can cause redness, pain, and severe skin burns. Hydrogen chloride may cause severe burns to the eye and permanent eye damage.
Structure
Data?1582752242
Synonyms
ValueSource
[HCL]ChEBI
Chlorure d'hydrogeneChEBI
ChlorwasserstoffChEBI
Cloruro de hidrogenoChEBI
HClChEBI
HydrochlorideChEBI
HydrogenchloridChEBI
WasserstoffchloridChEBI
Hydrogen chlorideKegg
HydrochlateGenerator
Hydrochlic acidGenerator
Anhydrous hydrochloric acidHMDB
Aqueous hydrogen chlorideHMDB
ChloraneHMDB
Chlorohydric acidHMDB
HCL]HMDB
Hydrochloric acid (JP15/nf)HMDB
Hydrochloric acid gasHMDB
Hydrogen chloric anhydrousHMDB
Hydrogen chloride (acid)HMDB
Hydrogen chloride (HCL)HMDB
Hydrogen chloride anhydrousHMDB
Marine acidHMDB
Muriatic acidHMDB
Spirit OF saltHMDB
Acid, muriaticHMDB
Acid, hydrochloricHMDB
Chloride, hydrogenHMDB
Chemical FormulaClH
Average Molecular Weight36.461
Monoisotopic Molecular Weight35.976677739
IUPAC Namehydrogen chloride
Traditional Namehydrogen chloride
CAS Registry Number7647-01-0
SMILES
Cl
InChI Identifier
InChI=1S/ClH/h1H
InChI KeyVEXZGXHMUGYJMC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHalogen organides
Sub ClassHalogen hydrides
Direct ParentHalogen hydrides
Alternative Parents
Substituents
  • Halogen hydride
  • Inorganic hydride
Molecular FrameworkNot Available
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.61ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.42 m³·mol⁻¹ChemAxon
Polarizability2.65 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-147.45830932474
DeepCCS[M+Na]+120.8130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Hydrochloric acidCl749.7Standard polar33892256
Hydrochloric acidCl281.7Standard non polar33892256
Hydrochloric acidCl114.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Hydrochloric acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-9000000000-9c67ad6c6de9138449dd2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydrochloric acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Hydrochloric acid Linear Ion Trap , negative-QTOFsplash10-0a4i-0000009000-8651ed5a563be0ad942f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hydrochloric acid Linear Ion Trap , negative-QTOFsplash10-0a4i-0000009000-6193af2f15253417208c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Hydrochloric acid Linear Ion Trap , positive-QTOFsplash10-014i-0000900000-5818c00db6f91eb3e74d2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 10V, Positive-QTOFsplash10-000i-9000000000-942cba57b20ee16a420d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 20V, Positive-QTOFsplash10-000i-9000000000-942cba57b20ee16a420d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 40V, Positive-QTOFsplash10-000i-9000000000-942cba57b20ee16a420d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 10V, Negative-QTOFsplash10-001i-9000000000-5849201eeb63a76419cf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 20V, Negative-QTOFsplash10-001i-9000000000-5849201eeb63a76419cf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 40V, Negative-QTOFsplash10-001i-9000000000-5849201eeb63a76419cf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 10V, Negative-QTOFsplash10-001i-9000000000-c2fa753da65a4bac80a12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 20V, Negative-QTOFsplash10-001i-9000000000-c2fa753da65a4bac80a12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 40V, Negative-QTOFsplash10-001i-9000000000-c2fa753da65a4bac80a12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 10V, Positive-QTOFsplash10-000i-9000000000-a69f8335a8796781b4b02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 20V, Positive-QTOFsplash10-000i-9000000000-a69f8335a8796781b4b02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydrochloric acid 40V, Positive-QTOFsplash10-000i-9000000000-a69f8335a8796781b4b02021-09-23Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB13366
Phenol Explorer Compound IDNot Available
FooDB IDFDB016076
KNApSAcK IDNot Available
Chemspider ID307
KEGG Compound IDC01327
BioCyc IDHCL
BiGG IDNot Available
Wikipedia LinkHydrochloric_acid
METLIN IDNot Available
PubChem Compound313
PDB IDNot Available
ChEBI ID17883
Food Biomarker OntologyNot Available
VMH IDM02144
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceSuzuta, Tetsuya; Mori, Yasuhiko; Abe, Tadashi. method to produce chlorine and hydrochloric acid. Jpn. Kokai Tokkyo Koho (2005), 13 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

Only showing the first 10 proteins. There are 23 proteins in total.

Enzymes

General function:
Involved in peroxidase activity
Specific function:
Part of the host defense system of polymorphonuclear leukocytes. It is responsible for microbicidal activity against a wide range of organisms. In the stimulated PMN, MPO catalyzes the production of hypohalous acids, primarily hypochlorous acid in physiologic situations, and other toxic intermediates that greatly enhance PMN microbicidal activity.
Gene Name:
MPO
Uniprot ID:
P05164
Molecular weight:
83867.71
Reactions
Hydrochloric acid + Hydrogen peroxide + Hydrogen Ion → HClO + Waterdetails
Hydrochloric acid + Hydrogen peroxide → HClO + Waterdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM2
Uniprot ID:
P28161
Molecular weight:
25744.395
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM1
Uniprot ID:
P09488
Molecular weight:
25711.555
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails
General function:
Involved in protein disulfide oxidoreductase activity
Specific function:
Significant glutathione conjugating activity is found only with the model substrate, 1-chloro-2,4-dinitrobenzene (CDNB).
Gene Name:
GSTK1
Uniprot ID:
Q9Y2Q3
Molecular weight:
31565.605
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails
General function:
Involved in glutathione transferase activity
Specific function:
Also functions as a glutathione peroxidase.
Gene Name:
MGST3
Uniprot ID:
O14880
Molecular weight:
16516.185
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. May govern uptake and detoxification of both endogenous compounds and xenobiotics at the testis and brain blood barriers.
Gene Name:
GSTM3
Uniprot ID:
P21266
Molecular weight:
26559.32
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTA1
Uniprot ID:
P08263
Molecular weight:
25630.785
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails
General function:
Involved in catalytic activity
Specific function:
Bifunctional enzyme showing minimal glutathione-conjugating activity with ethacrynic acid and 7-chloro-4-nitrobenz-2-oxa-1,3-diazole and maleylacetoacetate isomerase activity. Has also low glutathione peroxidase activity with T-butyl and cumene hydroperoxides. Is able to catalyze the glutathione dependent oxygenation of dichloroacetic acid to glyoxylic acid.
Gene Name:
GSTZ1
Uniprot ID:
O43708
Molecular weight:
17895.68
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Has a wide substrate specificity.
Gene Name:
MGST1
Uniprot ID:
P10620
Molecular weight:
17598.45
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Active on 1-chloro-2,4-dinitrobenzene.
Gene Name:
GSTM4
Uniprot ID:
Q03013
Molecular weight:
25561.095
Reactions
1,1-Dichloroethylene epoxide + Glutathione → 2-(S-Glutathionyl)acetyl chloride + Hydrochloric aciddetails
Chloroacetyl chloride + Glutathione → S-(2-Chloroacetyl)glutathione + Hydrochloric aciddetails
2-(S-Glutathionyl)acetyl chloride + Glutathione → 2-(S-Glutathionyl)acetyl glutathione + Hydrochloric aciddetails
Trichloroethylene + Glutathione → S-(1,2-Dichlorovinyl)glutathione + Hydrochloric aciddetails

Only showing the first 10 proteins. There are 23 proteins in total.