Hydrogen sulfide (PAMDB000486)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB000486
Identification
Name: Hydrogen sulfide
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).
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • Acide sulfhydrique
  • Acide sulphhydrique
  • Dihydrogen disulfide
  • Dihydrogen disulphide
  • Dihydrogen monosulfide
  • Dihydrogen monosulphide
  • Dihydrogen sulfide
  • Dihydrogen sulphide
  • H2S
  • H2S
  • Hepatate
  • Hepatic acid
  • Hepatic gas
  • Hydrogen monosulfide
  • Hydrogen monosulphide
  • Hydrogen sulfide
  • Hydrogen sulphide
  • Hydrogen-sulfide
  • Hydrogen-sulphide
  • Hydrogene sulfure
  • Hydrogene sulphure
  • Hydrosulfate
  • Hydrosulfurate
  • Hydrosulfuric acid
  • Hydrosulphate
  • Hydrosulphurate
  • Hydrosulphuric acid
  • Idrogeno solforato
  • Schwefelwasserstoff
  • Sewer gas
  • Siarkowodor
  • Sour gas
  • Stink dAMP
  • Sulfide
  • Sulfur hydride
  • Sulfur hydroxide
  • Sulfureted hydrogen
  • Sulfuretted hydrogen
  • Sulphide
  • Sulphur hydride
  • Sulphur hydroxide
  • Sulphureted hydrogen
  • Sulphuretted hydrogen
  • Zwavelwaterstof
Chemical Formula: H2S
Average Molecular Weight: 34.081
Monoisotopic Molecular Weight: 33.987720754
InChI Key: RWSOTUBLDIXVET-UHFFFAOYSA-N
InChI:InChI=1S/H2S/h1H2
CAS number: 7783-06-4
IUPAC Name:hydrogen sulfide
Traditional IUPAC Name: hydrogen sulfide
SMILES:S
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other nonmetals'.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Homogeneous other non-metal compounds
Sub ClassNot Available
Direct Parent Homogeneous other non-metal compounds
Alternative Parents
Substituents
  • Homogeneous other non metal
  • Inorganic sulfide
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Liquid
Charge:-1
Melting point: -85.49 °C
Experimental Properties:
PropertyValueSource
Water Solubility:3.74 mg/mL at 21 oC [VENABLE,CS & FUWA,T (1922)]PhysProp
Predicted Properties
PropertyValueSource
logP-0.037ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.36 m3·mol-1ChemAxon
Polarizability3.45 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
O-Acetylserine + Hydrogen sulfide <> Acetic acid + L-Cysteine + Hydrogen ion
5 Hydrogen ion + 3 NADPH + Sulfite <>3 Water + Hydrogen sulfide +3 NADP
L-Cysteine + Water > Hydrogen sulfide + Ammonium + Pyruvic acid
D-Cysteine + Water > Hydrogen sulfide + Ammonium + Pyruvic acid
L-Cysteine + Water <> Hydrogen sulfide + Pyruvic acid + Ammonia
O-Acetylserine + Hydrogen sulfide <> L-Cysteine + Acetic acid
O-Succinyl-L-homoserine + Hydrogen sulfide <> L-Homocysteine + Succinic acid
D-Cysteine + Water <> Hydrogen sulfide + Ammonia + Pyruvic acid
Hydrogen ion + 3-Mercaptopyruvic acid > Pyruvic acid + Hydrogen sulfide
D-Cysteine + Water <> Pyruvic acid + Hydrogen sulfide + Ammonia + Hydrogen ion
L-Cysteine + Water > Pyruvic acid + Ammonia + Hydrogen sulfide + Hydrogen ion
Hydrogen sulfide + 3 NADP + 3 Water > Sulfite +3 NADPH
L-Cysteine > Hydrogen ion + Hydrogen sulfide + 2-Aminoacrylic acid
3 NADPH + 5 Hydrogen ion + Sulfite + 3 NADPH + Sulfite > Hydrogen sulfide +3 Water +3 NADP
More...

Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-MS (2 TMS)splash10-03di-1900000000-447434090a2b915c1731View in MoNA
GC-MSGC-MS Spectrum - GC-MSNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-5373be1d46feb66d09a8View in MoNA
1D NMR1H NMR SpectrumNot Available
References
References:
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  • 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
  • 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
  • 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
  • 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
  • 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
  • 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
  • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
  • 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
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
  • 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
  • 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
  • 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
  • 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
  • Reid JS, Beeley JA, MacDonald DG: Investigations into black extrinsic tooth stain. J Dent Res. 1977 Aug;56(8):895-9. Pubmed: 270488
  • 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
  • Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. Pubmed: 18331064
  • 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
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Download (PDF)
External Links:
ResourceLink
CHEBI ID16136
HMDB IDHMDB03276
Pubchem Compound ID402
Kegg IDC00283
ChemSpider ID391
WikipediaHydrogen sulfide
BioCyc IDHS
EcoCyc IDHS
Ligand ExpoS