Human Metabolome Database Version 3.5

Showing metabocard for Sulfide (HMDB00598)

Record Information
Version 3.5
Creation Date 2006-08-15 16:23:21 -0600
Update Date 2013-05-28 11:31:12 -0600
HMDB ID HMDB00598
Secondary Accession Numbers None
Metabolite Identification
Common Name Sulfide
Description A sulfide or sulphide (UK) is an anion of sulfur in its lowest oxidation state of 2-. Sulfide is also a slightly archaic term for thioethers, a common type oforganosulfur compound that are well known for their bad odors. Sulfides are moderately strong reducing agents. They react with oxygen in the air in elevated temperatures to form higher-valence sulfur salts, such as sulfates and sulfur dioxide. (Wikipedia). 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, and is widely used in biochemical processes. Sulfur is an important part of many enzymes and also in antioxidant molecules like glutathione and thioredoxin. 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. They are largely responsible for the mechanical strength and insolubility of the protein keratin, found in outer skin, hair, and feathers, and the element contributes to their pungent odor when burned. (Wikipedia). 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. Sulfur is absorbed by plants via the roots from soil as the sulfate ion and reduced to sulfide before it is incorporated into cysteine and other organic sulfur compounds (sulfur assimilation). 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. At room temperature, sulfur is a soft bright yellow solid. Although sulfur is blamed for the smell of rotten eggs elemental sulfur has only the faintest odor (the odor associated with rotten eggs is actually due to hydrogen sulfide and organic sulfur compounds). It burns with a blue flame that emits sulfur dioxide, notable for its peculiar suffocating odor. Sulfur is insoluble in water but soluble in carbon disulfide and to a lesser extent in other organic solvents such as benzene. Through its major derivative, sulfuric acid (H2SO4), sulfur ranks as one of the more important industrial raw materials. It is of prime importance to every sector of the world's economies. The Latin name of the element is sulfur with an F. Since it is an original Latin name and not a Classical Greek loan, the fricative phoneme is indeed denoted with f rather than ph. Its commercial uses are primarily in fertilizers, but it is also widely used in gunpowder, matches, insecticides and fungicides; A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed.) The burning of coal and petroleum by industry and power plants liberates huge amounts of sulfur dioxide (SO2) which reacts with atmospheric water and oxygen to produce sulfuric acid. This sulfuric acid is a component of acid rain, which lowers the pH of soil and freshwater bodies, resulting in substantial damage to the natural environment and chemical weathering of statues and architecture.
Structure Thumb
Download: MOL | SDF | PDB | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Sulfanediide
  2. Sulfide
  3. Sulfur
  4. Sulphide
Chemical Formula S
Average Molecular Weight 32.065
Monoisotopic Molecular Weight 31.97207069
IUPAC Name sulfanediide
Traditional IUPAC Name sulfide
CAS Registry Number 18496-25-8
SMILES [S--]
InChI Identifier InChI=1S/S/q-2
InChI Key UCKMPCXJQFINFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Inorganic Compounds
Super Class Homogeneous Non-metal Compounds
Class Homogeneous Other Non-metal Compounds
Sub Class N/A
Other Descriptors
  • an anion(Cyc)
  • monoatomic sulfur(ChEBI)
Substituents
  • N/A
Direct Parent Homogeneous Other Non-metal Compounds
Ontology
Status Detected and Quantified
Origin
  • Drug
  • Toxin/Pollutant
Biofunction
  • Essential minerals
Application Not Available
Cellular locations Not Available
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point 112 °C Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
LogP -0.037 ChemAxon
Hydrogen Acceptor Count 0 ChemAxon
Hydrogen Donor Count 0 ChemAxon
Polar Surface Area 0 A2 ChemAxon
Rotatable Bond Count 0 ChemAxon
Refractivity 5.76 ChemAxon
Polarizability 2.93 ChemAxon
Formal Charge -2 ChemAxon
Physiological Charge -1 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations
  • Blood
Tissue Location
  • Liver
  • Brain
  • Skin
  • Platelet
  • Lymph Node
  • Cartilage
  • Hair
  • Tongue
Pathways Not Available
Normal Concentrations
Biofluid Status Value Age Sex Condition Reference
Blood Detected and Quantified
< 0.003 uM Not Specified Not Specified Normal
Abnormal Concentrations
Biofluid Status Value Age Sex Condition Reference
Blood Detected and Quantified 30 uM Adult (>18 years old) Male Comment Fatal hydrogen sulfide poisoning
Blood Detected and Quantified 21.21 uM Adult (>18 years old) Male Fatal hydrogen sulfide poisoning
Blood Detected and Quantified 7-950 uM Adult (>18 years old) Male Comment Fatal hydrogen sulfide poisoning
Blood Detected and Quantified 102.14 (9.98-291.91) uM Adult (>18 years old) Male Fatal hydrogen sulfide poisoning
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
DrugBank Metabolite ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB022136
KNApSAcK ID Not Available
Chemspider ID 27079 Link_out
KEGG Compound ID C00087 Link_out
BioCyc ID CPD-7046 Link_out
BiGG ID Not Available
Wikipedia Link Sulfide Link_out
NuGOwiki Link HMDB00598 Link_out
Metagene Link HMDB00598 Link_out
METLIN ID Not Available
PubChem Compound 29109 Link_out
PDB ID Not Available
ChEBI ID 15138 Link_out
References
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
General References
  1. 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 Link_out
  2. 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 Link_out
  3. 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 Link_out
  4. 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 Link_out
  5. 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 Link_out
  6. 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 Link_out
  7. 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 Link_out
  8. 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 Link_out
  9. 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 Link_out
  10. 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 Link_out
  11. 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 Link_out
  12. 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 Link_out

Enzymes
Name: NADH-ubiquinone oxidoreductase chain 1
Reactions: Not Available
Gene Name: MT-ND1
Uniprot ID: P03886 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1
Reactions: Not Available
Gene Name: NDUFB1
Uniprot ID: O75438 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial
Reactions: Not Available
Gene Name: NDUFS2
Uniprot ID: O75306 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Succinate dehydrogenase cytochrome b560 subunit, mitochondrial
Reactions: Not Available
Gene Name: SDHC
Uniprot ID: Q99643 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12
Reactions: Not Available
Gene Name: NDUFA12
Uniprot ID: Q9UI09 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1
Reactions: Not Available
Gene Name: NDUFA1
Uniprot ID: O15239 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2
Reactions: Not Available
Gene Name: NDUFA4L2
Uniprot ID: Q9NRX3 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3
Reactions: Not Available
Gene Name: NDUFA3
Uniprot ID: O95167 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8
Reactions: Not Available
Gene Name: NDUFA8
Uniprot ID: P51970 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4
Reactions: Not Available
Gene Name: NDUFA4
Uniprot ID: O00483 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH-ubiquinone oxidoreductase chain 4L
Reactions: Not Available
Gene Name: MT-ND4L
Uniprot ID: P03901 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11
Reactions: Not Available
Gene Name: NDUFA11
Uniprot ID: Q86Y39 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial
Reactions: Not Available
Gene Name: NDUFS4
Uniprot ID: O43181 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial
Reactions: Not Available
Gene Name: NDUFS3
Uniprot ID: O75489 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] iron-sulfur protein 5
Reactions: Not Available
Gene Name: NDUFS5
Uniprot ID: O43920 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Reactions: Not Available
Gene Name: NDUFV2
Uniprot ID: P19404 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial
Reactions: Not Available
Gene Name: NDUFA10
Uniprot ID: O95299 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6
Reactions: Not Available
Gene Name: NDUFA6
Uniprot ID: P56556 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4
Reactions: Not Available
Gene Name: NDUFB4
Uniprot ID: O95168 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial
Reactions: Not Available
Gene Name: SDHA
Uniprot ID: P31040 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial
Reactions: Not Available
Gene Name: NDUFS8
Uniprot ID: O00217 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH-ubiquinone oxidoreductase chain 2
Reactions: Not Available
Gene Name: MT-ND2
Uniprot ID: P03891 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7
Reactions: Not Available
Gene Name: NDUFA7
Uniprot ID: O95182 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2
Reactions: Not Available
Gene Name: NDUFA2
Uniprot ID: O43678 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
Reactions: Not Available
Gene Name: NDUFS1
Uniprot ID: P28331 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial
Reactions: Not Available
Gene Name: NDUFB5
Uniprot ID: O43674 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 subunit C2
Reactions: Not Available
Gene Name: NDUFC2
Uniprot ID: O95298 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Dimethylaniline monooxygenase [N-oxide-forming] 3
Reactions: Not Available
Gene Name: FMO3
Uniprot ID: P31513 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3
Reactions: Not Available
Gene Name: NDUFB3
Uniprot ID: O43676 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7
Reactions: Not Available
Gene Name: NDUFB7
Uniprot ID: P17568 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Acyl carrier protein, mitochondrial
Reactions: Not Available
Gene Name: NDUFAB1
Uniprot ID: O14561 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5
Reactions: Not Available
Gene Name: NDUFA5
Uniprot ID: Q16718 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial
Reactions: Not Available
Gene Name: ETFDH
Uniprot ID: Q16134 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial
Reactions: Not Available
Gene Name: NDUFA9
Uniprot ID: Q16795 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH-ubiquinone oxidoreductase chain 4
Reactions: Not Available
Gene Name: MT-ND4
Uniprot ID: P03905 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial
Reactions: Not Available
Gene Name: SDHD
Uniprot ID: O14521 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial
Reactions: Not Available
Gene Name: NDUFS7
Uniprot ID: O75251 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Reactions: Not Available
Gene Name: NDUFV1
Uniprot ID: P49821 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9
Reactions: Not Available
Gene Name: NDUFB9
Uniprot ID: Q9Y6M9 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH-ubiquinone oxidoreductase chain 6
Reactions: Not Available
Gene Name: MT-ND6
Uniprot ID: P03923 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13
Reactions: Not Available
Gene Name: NDUFA13
Uniprot ID: Q9P0J0 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial
Reactions: Not Available
Gene Name: NDUFS6
Uniprot ID: O75380 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial
Reactions: Not Available
Gene Name: SDHB
Uniprot ID: P21912 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Aconitate hydratase, mitochondrial
Reactions: Not Available
Gene Name: ACO2
Uniprot ID: Q99798 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Cytoplasmic aconitate hydratase
Reactions: Not Available
Gene Name: ACO1
Uniprot ID: P21399 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial
Reactions: Not Available
Gene Name: NDUFB11
Uniprot ID: Q9NX14 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Lipoyl synthase, mitochondrial
Reactions: Not Available
Gene Name: LIAS
Uniprot ID: O43766 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: NADH dehydrogenase (Ubiquinone) 1 beta subcomplex, 2, 8kDa
Reactions: Not Available
Gene Name: NDUFB2
Uniprot ID: A4D1T5 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA