Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2006-05-22 15:12:46 UTC |
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Update Date | 2023-02-21 17:16:34 UTC |
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HMDB ID | HMDB0003276 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Hydrogen sulfide |
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Description | Hydrogen sulfide is a highly toxic and flammable gas. Because it is heavier than air it tends to accumulate at the bottom of poorly ventilated spaces. Although very pungent at first, it quickly deadens the sense of smell, so potential victims may be unaware of its presence until it is too late. H2S arises from virtually anywhere where elemental sulfur comes into contact with organic material, especially at high temperatures. Hydrogen sulfide is a covalent hydride chemically related to water (H2O) since oxygen and sulfur occur in the same periodic table group. It often results when bacteria break down organic matter in the absence of oxygen, such as in swamps, and sewers (alongside the process of anaerobic digestion). It also occurs in volcanic gases, natural gas and some well waters. It is also important to note that Hydrogen sulfide is a central participant in the sulfur cycle, the biogeochemical cycle of sulfur on Earth. As mentioned above, sulfur-reducing and sulfate-reducing bacteria derive energy from oxidizing hydrogen or organic molecules in the absence of oxygen by reducing sulfur or sulfate to hydrogen sulfide. Other bacteria liberate hydrogen sulfide from sulfur-containing amino acids. Several groups of bacteria can use hydrogen sulfide as fuel, oxidizing it to elemental sulfur or to sulfate by using oxygen or nitrate as oxidant. The purple sulfur bacteria and the green sulfur bacteria use hydrogen sulfide as electron donor in photosynthesis, thereby producing elemental sulfur. (In fact, this mode of photosynthesis is older than the mode of cyanobacteria, algae and plants which uses water as electron donor and liberates oxygen). Hydrogen sulfide can be found in Alcaligenes, Chromobacteriumn, Klebsiella, Proteus and Pseudomonas (PMID: 13061742 ). |
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Structure | |
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Synonyms | Value | Source |
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[SH2] | ChEBI | Acide sulfhydrique | ChEBI | Dihydrogen monosulfide | ChEBI | Dihydrogen sulfide | ChEBI | H2S | ChEBI | Hydrogen monosulfide | ChEBI | Hydrogen sulphide | ChEBI | Hydrogen-sulfide | ChEBI | Hydrogene sulfure | ChEBI | HYDROsulfURIC ACID | ChEBI | Schwefelwasserstoff | ChEBI | Sulfide | ChEBI | Sulfure d'hydrogene | ChEBI | Acide sulphhydrique | Generator | Dihydrogen monosulphide | Generator | Dihydrogen sulphide | Generator | Hydrogen monosulphide | Generator | Hydrogen-sulphide | Generator | Hydrogene sulphure | Generator | HYDROsulfate | Generator | HYDROsulphate | Generator | HYDROsulphuric acid | Generator | Sulphide | Generator | Sulphure d'hydrogene | Generator | Dihydrogen disulfide | HMDB | Hepatate | HMDB | Hepatic acid | HMDB | Hepatic gas | HMDB | Hydrosulfurate | HMDB | Idrogeno solforato | HMDB | Sewer gas | HMDB | Siarkowodor | HMDB | Sour gas | HMDB | Stink dAMP | HMDB | Sulfur hydride | HMDB | Sulfur hydroxide | HMDB | Sulfureted hydrogen | HMDB | Sulfuretted hydrogen | HMDB | Zwavelwaterstof | HMDB | Sulfide, hydrogen | HMDB | Hydrogen sulfide (H2(SX)) | HMDB | Hydrogen sulfide (H2S2) | HMDB | Hydrogen sulfide (H2S3) | HMDB |
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Chemical Formula | H2S |
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Average Molecular Weight | 34.081 |
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Monoisotopic Molecular Weight | 33.987720754 |
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IUPAC Name | hydrogen sulfide |
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Traditional Name | hydrogen sulfide |
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CAS Registry Number | 7783-06-4 |
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SMILES | S |
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InChI Identifier | InChI=1S/H2S/h1H2 |
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InChI Key | RWSOTUBLDIXVET-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals. |
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Kingdom | Inorganic compounds |
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Super Class | Homogeneous non-metal compounds |
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Class | Other non-metal organides |
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Sub Class | Other non-metal sulfides |
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Direct Parent | Other non-metal sulfides |
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Alternative Parents | |
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Substituents | - Other non-metal sulfide
- Inorganic sulfide
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Molecular Framework | Not Available |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Liquid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | -85.49 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 3.74 mg/mL at 21 °C | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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Hydrogen sulfide | S | 807.6 | Standard polar | 33892256 | Hydrogen sulfide | S | 331.1 | Standard non polar | 33892256 | Hydrogen sulfide | S | 202.9 | Semi standard non polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Hydrogen sulfide GC-MS (2 TMS) | splash10-03di-1900000000-447434090a2b915c1731 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Hydrogen sulfide GC-MS (Non-derivatized) | splash10-03di-1900000000-447434090a2b915c1731 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydrogen sulfide GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9000000000-3a89a2549173c5c1687f | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydrogen sulfide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydrogen sulfide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-5373be1d46feb66d09a8 | 2015-03-01 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 10V, Positive-QTOF | splash10-001i-9000000000-2d63abb89fd699a31707 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 20V, Positive-QTOF | splash10-001i-9000000000-2d63abb89fd699a31707 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 40V, Positive-QTOF | splash10-001i-9000000000-2d63abb89fd699a31707 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 10V, Positive-QTOF | splash10-001i-9000000000-2d63abb89fd699a31707 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 20V, Positive-QTOF | splash10-001i-9000000000-2d63abb89fd699a31707 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 40V, Positive-QTOF | splash10-001i-9000000000-2d63abb89fd699a31707 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 10V, Negative-QTOF | splash10-001i-9000000000-05710009cb2405db27bd | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 20V, Negative-QTOF | splash10-001i-9000000000-05710009cb2405db27bd | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 40V, Negative-QTOF | splash10-001i-9000000000-05710009cb2405db27bd | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 10V, Negative-QTOF | splash10-001i-9000000000-05710009cb2405db27bd | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 20V, Negative-QTOF | splash10-001i-9000000000-05710009cb2405db27bd | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 40V, Negative-QTOF | splash10-001i-9000000000-05710009cb2405db27bd | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 10V, Negative-QTOF | splash10-001i-9000000000-942ac689538269d6ca7b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 20V, Negative-QTOF | splash10-001i-9000000000-942ac689538269d6ca7b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 40V, Negative-QTOF | splash10-001i-9000000000-942ac689538269d6ca7b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 10V, Positive-QTOF | splash10-001i-9000000000-db65f6d26b49c6300706 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 20V, Positive-QTOF | splash10-001i-9000000000-db65f6d26b49c6300706 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydrogen sulfide 40V, Positive-QTOF | splash10-001i-9000000000-db65f6d26b49c6300706 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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Biological Properties |
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Cellular Locations | Not Available |
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Biospecimen Locations | |
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Tissue Locations | |
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 65.70 +/- 5.50 uM | Children (1-13 years old) | Both | Normal | | details | Blood | Detected and Quantified | 37.6 (27.4-41.3) uM | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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Blood | Detected and Quantified | 51.93 +/- 6.01 uM | Children (1-13 years old) | Both | Primary hypertension | | details | Blood | Detected and Quantified | 36.2 (17.1-66.3) uM | Adult (>18 years old) | Male | Osteoarthritis | | details | Blood | Detected and Quantified | 36.6 (30.6-49.2) uM | Adult (>18 years old) | Both | Rheumatoid arthritis | | details |
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Associated Disorders and Diseases |
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Disease References | Hydrogen sulfide poisoning |
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- Whiteman M, Haigh R, Tarr JM, Gooding KM, Shore AC, Winyard PG: Detection of hydrogen sulfide in plasma and knee-joint synovial fluid from rheumatoid arthritis patients: relation to clinical and laboratory measures of inflammation. Ann N Y Acad Sci. 2010 Aug;1203:146-50. doi: 10.1111/j.1749-6632.2010.05556.x. [PubMed:20716297 ]
| Osteoarthritis |
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- Whiteman M, Haigh R, Tarr JM, Gooding KM, Shore AC, Winyard PG: Detection of hydrogen sulfide in plasma and knee-joint synovial fluid from rheumatoid arthritis patients: relation to clinical and laboratory measures of inflammation. Ann N Y Acad Sci. 2010 Aug;1203:146-50. doi: 10.1111/j.1749-6632.2010.05556.x. [PubMed:20716297 ]
| Essential hypertension |
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- Chen L, Ingrid S, Ding YG, Liu Y, Qi JG, Tang CS, DU JB: Imbalance of endogenous homocysteine and hydrogen sulfide metabolic pathway in essential hypertensive children. Chin Med J (Engl). 2007 Mar 5;120(5):389-93. [PubMed:17376309 ]
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Associated OMIM IDs | |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB030910 |
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KNApSAcK ID | C00007266 |
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Chemspider ID | 391 |
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KEGG Compound ID | C00283 |
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BioCyc ID | HS |
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BiGG ID | Not Available |
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Wikipedia Link | Hydrogen_sulfide |
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METLIN ID | 3193 |
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PubChem Compound | 402 |
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PDB ID | Not Available |
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ChEBI ID | 16136 |
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Food Biomarker Ontology | Not Available |
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VMH ID | H2S |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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General References | - Jiang T, Suarez FL, Levitt MD, Nelson SE, Ziegler EE: Gas production by feces of infants. J Pediatr Gastroenterol Nutr. 2001 May;32(5):534-41. [PubMed:11429513 ]
- Boehning D, Snyder SH: Novel neural modulators. Annu Rev Neurosci. 2003;26:105-31. [PubMed:14527267 ]
- Kresimon J, Gruter UM, Hirner AV: HG/LT-GC/ICP-MS coupling for identification of metal(loid) species in human urine after fish consumption. Fresenius J Anal Chem. 2001 Nov;371(5):586-90. [PubMed:11767883 ]
- Kage S, Takekawa K, Kurosaki K, Imamura T, Kudo K: The usefulness of thiosulfate as an indicator of hydrogen sulfide poisoning: three cases. Int J Legal Med. 1997;110(4):220-2. [PubMed:9274948 ]
- Kaplan WD, Piez CW, Gelman RS, Laffin SM, Rosenbaum EM, Jennings CA, McCormick CA, Harris JR, Henderson IC, Atkins HL: Clinical comparison of two radiocolloids for internal mammary lymphoscintigraphy. J Nucl Med. 1985 Dec;26(12):1382-5. [PubMed:4067640 ]
- Naidong W, Shou WZ, Addison T, Maleki S, Jiang X: Liquid chromatography/tandem mass spectrometric bioanalysis using normal-phase columns with aqueous/organic mobile phases - a novel approach of eliminating evaporation and reconstitution steps in 96-well SPE. Rapid Commun Mass Spectrom. 2002;16(20):1965-75. [PubMed:12362389 ]
- Claesson R, Granlund-Edstedt M, Persson S, Carlsson J: Activity of polymorphonuclear leukocytes in the presence of sulfide. Infect Immun. 1989 Sep;57(9):2776-81. [PubMed:2547720 ]
- Quirynen M, Zhao H, Avontroodt P, Soers C, Pauwels M, Coucke W, van Steenberghe D: A salivary incubation test for evaluation of oral malodor: a pilot study. J Periodontol. 2003 Jul;74(7):937-44. [PubMed:12931755 ]
- Donham KJ, Zejda JE: Lung dysfunction in animal confinement workers--chairman's report to the Scientific Committee of the Third International Symposium: issues in health, safety and agriculture, held in Saskatoon, Saskatchewan, Canada, May 10-15, 1992. Pol J Occup Med Environ Health. 1992;5(3):277-9. [PubMed:1362681 ]
- Reid JS, Beeley JA, MacDonald DG: Investigations into black extrinsic tooth stain. J Dent Res. 1977 Aug;56(8):895-9. [PubMed:270488 ]
- Chen X, Jhee KH, Kruger WD: Production of the neuromodulator H2S by cystathionine beta-synthase via the condensation of cysteine and homocysteine. J Biol Chem. 2004 Dec 10;279(50):52082-6. Epub 2004 Nov 1. [PubMed:15520012 ]
- Warren YA, Citron DM, Merriam CV, Goldstein EJ: Biochemical differentiation and comparison of Desulfovibrio species and other phenotypically similar genera. J Clin Microbiol. 2005 Aug;43(8):4041-5. [PubMed:16081948 ]
- Livermore A, Hummel T, Kobal G: Chemosensory event-related potentials in the investigation of interactions between the olfactory and the somatosensory (trigeminal) systems. Electroencephalogr Clin Neurophysiol. 1992 Sep;83(3):201-10. [PubMed:1381671 ]
- Xu C, Li CY, Kong AN: Induction of phase I, II and III drug metabolism/transport by xenobiotics. Arch Pharm Res. 2005 Mar;28(3):249-68. [PubMed:15832810 ]
- Jorgensen J, Mortensen PB: Hydrogen sulfide and colonic epithelial metabolism: implications for ulcerative colitis. Dig Dis Sci. 2001 Aug;46(8):1722-32. [PubMed:11508674 ]
- Kage S, Ito S, Kishida T, Kudo K, Ikeda N: A fatal case of hydrogen sulfide poisoning in a geothermal power plant. J Forensic Sci. 1998 Jul;43(4):908-10. [PubMed:9670519 ]
- Kage S, Kashimura S, Ikeda H, Kudo K, Ikeda N: Fatal and nonfatal poisoning by hydrogen sulfide at an industrial waste site. J Forensic Sci. 2002 May;47(3):652-5. [PubMed:12051356 ]
- CLARKE PH: Hydrogen sulphide production by bacteria. J Gen Microbiol. 1953 Jun;8(3):397-407. doi: 10.1099/00221287-8-3-397. [PubMed:13061742 ]
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