Record Information
Version1.0
Creation Date2016-07-13 19:44:16 UTC
Update Date2016-07-19 23:35:50 UTC
LmdbLMDB00187
Secondary Accession NumbersNone
Metabolite Identification
Common NameSulfide
DescriptionA†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
Synonyms
ValueSource
S(2-)ChEBI
SulphideChEBI
SulfanediideHMDB
SulfurHMDB
Sulphide(2-)HMDB
SulfideChEBI
Chemical FormulaS
Average Molecular Weight32.065
Monoisotopic Molecular Weight31.97207069
IUPAC Namesulfanediide
Traditional Namesulfanediide
CAS Registry Number18496-25-8
SMILES
[S--]
InChI Identifier
InChI=1S/S/q-2
InChI KeyUCKMPCXJQFINFW-UHFFFAOYSA-N
Chemical Taxonomy
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.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal sulfides
Direct ParentOther non-metal sulfides
Alternative ParentsNot Available
Substituents
  • Other non-metal sulfide
Molecular FrameworkNot Available
External Descriptors
Ontology
StatusDetected and Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.037ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.76 m³·mol⁻¹ChemAxon
Polarizability2.93 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-MS (2 TMS)splash10-03di-1900000000-447434090a2b915c1731Spectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-03di-1900000000-447434090a2b915c1731Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-05710009cb2405db27bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-05710009cb2405db27bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-05710009cb2405db27bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-1ca61b38a516c734a4dbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-1ca61b38a516c734a4dbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-1ca61b38a516c734a4dbSpectrum
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-5373be1d46feb66d09a8Spectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
Biological Properties
Cellular LocationsNot Available
Biofluid Locations and Tissue Locations
  • Milk
Concentrations
BiofluidStatusValueConditionSpeciesReferenceDetails
MilkDetected and Quantified320 mg/kgNot AvailableBovine
    • Park, Y. W; Juáre...
details
MilkDetected and Quantified290 mg/kgNot AvailableOvine
    • Park, Y. W; Juáre...
details
MilkDetected and Quantified280 mg/kgNot AvailableCaprine
    • Park, Y. W; Juáre...
details
DrugBank IDNot Available
HMDB IDHMDB0000598
FooDB IDFDB022136
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSulfide
Chemspider ID27079
ChEBI ID15138
PubChem Compound ID29109
Kegg Compound IDC00087
YMDB IDYMDB00121
ECMDB IDECMDB00598
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available