Sulfide (PAMDB000154)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB000154
Identification
Name: Sulfide
Description:Sulfide is an ion form of sulfur, frequently found in hydrogen sulfide. Sulfur (Greek is theion) is the chemical element in the periodic table that has the symbol S and atomic number 16. It is an abundant, tasteless, odorless, multivalent non-metal. Sulfur, in its native form, is a yellow crystalline solid. In nature, it can be found as the pure element or as sulfide and sulfate minerals. It is an essential element for life. The amino acids cysteine and methionine contain sulfur, as do all polypeptides, proteins, and enzymes which contain these amino acids. This makes sulfur a necessary component of all living cells. Disulfide bonds between polypeptides are very important in protein assembly and structure. Homocysteine and taurine are also sulfur containing amino acids but are not coded for by DNA nor are they part of the primary structure of proteins. Some forms of bacteria use hydrogen sulfide (H2S) in the place of water as the electron donor in a primitive photosynthesis-like process. Inorganic sulfur forms a part of iron-sulfur clusters, and sulfur is the bridging ligand in the CuA site of cytochrome c oxidase. Sulfur is an important component of coenzyme A.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • Sulfanediide
  • Sulfide
  • Sulfide(2-)
  • Sulfur
  • Sulfur(2-)
  • Sulphanediide
  • Sulphide
  • Sulphide(2-)
  • Sulphur
  • Sulphur(2-)
Chemical Formula: S
Average Molecular Weight: 32.065
Monoisotopic Molecular Weight: 31.97207069
InChI Key: UCKMPCXJQFINFW-UHFFFAOYSA-N
InChI:InChI=1S/S/q-2
CAS number: 18496-25-8
IUPAC Name:sulfanediide
Traditional IUPAC Name: sulfanediide
SMILES:[S--]
Chemical Taxonomy
Taxonomy DescriptionThis compound 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.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Other non-metal organides
Sub ClassOther non-metal sulfides
Direct Parent Other non-metal sulfides
Alternative Parents Not Available
Substituents
  • Other non-metal sulfide
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-1
Melting point: 112 °C
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP-0.037ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.76 m3·mol-1ChemAxon
Polarizability2.93 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Sulfide + Water + 3 NADP > Sulfite +3 NADPH + Sulfite +3 NADPH
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
References
References:
  • Codipilly DP, Kaufman HW, Kleinberg I: Use of a novel group of oral malodor measurements to evaluate an anti-oral malodor mouthrinse (TriOralTM) in humans. J Clin Dent. 2004;15(4):98-104. Pubmed: 15794454
  • Dauphine CE, Khalkhali I, Vargas MP, Isaac NM, Haukoos J, Vargas HI: Intraoperative injection of technetium-99m sulfur colloid is effective in the detection of sentinel lymph nodes in breast cancer. Am J Surg. 2006 Oct;192(4):423-6. Pubmed: 16978942
  • de la Flor St Remy RR, Montes-Bayon M, Sanz-Medel A: Determination of total homocysteine in human serum by capillary gas chromatography with sulfur-specific detection by double focusing ICP-MS. Anal Bioanal Chem. 2003 Sep;377(2):299-305. Epub 2003 Jul 3. Pubmed: 12844208
  • Joseph UA, Barron BJ, Lamki LM: Rim sign in Tc-99m sulfur colloid hepatic scintigraphy. Clin Nucl Med. 2005 Apr;30(4):284-5. Pubmed: 15764894
  • 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
  • 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
  • Koshimune S, Awano S, Gohara K, Kurihara E, Ansai T, Takehara T: Low salivary flow and volatile sulfur compounds in mouth air. Oral Surg Oral Med Oral Pathol Oral Radiol Endod. 2003 Jul;96(1):38-41. Pubmed: 12847442
  • Lee CH, Kho HS, Chung SC, Lee SW, Kim YK: The relationship between volatile sulfur compounds and major halitosis-inducing factors. J Periodontol. 2003 Jan;74(1):32-7. Pubmed: 12593593
  • Macone A, Matarese RM, Gentili V, Antonucci A, Dupre S, Nardini M: Effect of aminoethylcysteine ketimine decarboxylated dimer, a natural sulfur compound present in human plasma, on tert-butyl hydroperoxide-induced oxidative stress in human monocytic U937 cells. Free Radic Res. 2004 Jul;38(7):705-14. Pubmed: 15453636
  • Pandit-Taskar N, Dauer LT, Montgomery L, St Germain J, Zanzonico PB, Divgi CR: Organ and fetal absorbed dose estimates from 99mTc-sulfur colloid lymphoscintigraphy and sentinel node localization in breast cancer patients. J Nucl Med. 2006 Jul;47(7):1202-8. Pubmed: 16818956
  • Vargas HI, Vargas MP, Gonzalez KD, Burla M, Venegas R, Diggles L, Mishkin F, Klein SR, Khalkhali I: Immediate preoperative injection of 99m-Tc sulfur colloid is effective in the detection of breast sentinel lymph nodes. Am Surg. 2002 Dec;68(12):1083-7. Pubmed: 12516814
  • Walash MI, Metwally ME, El-Brashy AM, Abdelal AA: Kinetic spectrophotometric determination of some sulfur containing compounds in pharmaceutical preparations and human serum. Farmaco. 2003 Dec;58(12):1325-32. Pubmed: 14630247
  • Yonezawa H, Takasaki K, Teraoka K, Asaka T, Sato C, Tsuchiya K: Effects of tongue and oral mucosa cleaning on oral Candida species and production of volatile sulfur compounds in the elderly in a nursing home. J Med Dent Sci. 2003 Mar;50(1):1-8. Pubmed: 12715913
  • Yoshida K, Kuroda K, Zhou X, Inoue Y, Date Y, Wanibuchi H, Fukushima S, Endo G: Urinary sulfur-containing metabolite produced by intestinal bacteria following oral administration of dimethylarsinic acid to rats. Chem Res Toxicol. 2003 Sep;16(9):1124-9. Pubmed: 12971800
Synthesis Reference: Green, Martina; Verkoczy, Bela; Lown, Elizabeth M.; Strausz, Otto P. The reactions of sulfur atoms with propadiene and 1,2-butadiene. Canadian Journal of Chemistry (1985), 63(3), 667-75.
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID26833
HMDB IDHMDB00598
Pubchem Compound ID5362487
Kegg IDC00297
ChemSpider ID27079
WikipediaSulfur
BioCyc IDCPD-7046
EcoCyc IDCPD-7046