| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2011-09-21 00:09:01 UTC |
|---|
| Update date | 2019-11-26 03:21:01 UTC |
|---|
| Primary ID | FDB022136 |
|---|
| Secondary Accession Numbers | |
|---|
| Chemical Information |
|---|
| FooDB Name | Sulfide |
|---|
| Description | Sulfide, also known as sulphide or S(2-), 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. Sulfide is possibly neutral. Sulfide exists in all living species, ranging from bacteria to humans. Sulfide is found, on average, in the highest concentration within milk (cow). This could make sulfide a potential biomarker for the consumption of these foods. |
|---|
| CAS Number | 18496-25-8 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| S(2-) | ChEBI | | Sulphide | ChEBI | | Sulfanediide | HMDB | | Sulfur | HMDB | | Sulphide(2-) | HMDB | | Sulfide | ChEBI | | sulfanediide | hmdb | | sulphide | hmdb |
|
|---|
| Predicted Properties | |
|---|
| Chemical Formula | S |
|---|
| IUPAC name | sulfanediide |
|---|
| InChI Identifier | InChI=1S/S/q-2 |
|---|
| InChI Key | UCKMPCXJQFINFW-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | [S--] |
|---|
| Average Molecular Weight | 32.065 |
|---|
| Monoisotopic Molecular Weight | 31.97207069 |
|---|
| Classification |
|---|
| 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. |
|---|
| Kingdom | Inorganic compounds |
|---|
| Super Class | Homogeneous non-metal compounds |
|---|
| Class | Other non-metal organides |
|---|
| Sub Class | Other non-metal sulfides |
|---|
| Direct Parent | Other non-metal sulfides |
|---|
| Alternative Parents | Not Available |
|---|
| Substituents | |
|---|
| Molecular Framework | Not Available |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
|
| Physiological effect | Health effect: |
|---|
| Disposition | Route of exposure: Source: Biological location: |
|---|
| Role | Environmental role: Industrial application: Biological role: |
|---|
| Physico-Chemical Properties |
|---|
| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
|---|
| Physical state | Solid | |
|---|
| Physical Description | Not Available | |
|---|
| Mass Composition | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
| Boiling Point | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental pKa | Not Available | |
|---|
| Isoelectric point | Not Available | |
|---|
| Charge | Not Available | |
|---|
| Optical Rotation | Not Available | |
|---|
| Spectroscopic UV Data | Not Available | |
|---|
| Density | Not Available | |
|---|
| Refractive Index | Not Available | |
|---|
|
|---|
| Spectra |
|---|
| Spectra | |
|---|
| EI-MS/GC-MS | | Type | Description | Splash Key | View |
|---|
| EI-MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-5373be1d46feb66d09a8 | 2019-05-16 | View Spectrum | | GC-MS | Sulfides, 2 TMS, GC-MS Spectrum | splash10-03di-1900000000-447434090a2b915c1731 | Spectrum | | GC-MS | Sulfides, non-derivatized, GC-MS Spectrum | splash10-03di-1900000000-447434090a2b915c1731 | Spectrum |
|
|---|
| MS/MS | | Type | Description | Splash Key | View |
|---|
| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9000000000-05710009cb2405db27bd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-05710009cb2405db27bd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-05710009cb2405db27bd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-9000000000-1ca61b38a516c734a4db | 2016-08-04 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-9000000000-1ca61b38a516c734a4db | 2016-08-04 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-1ca61b38a516c734a4db | 2016-08-04 | View Spectrum |
|
|---|
| NMR | | Type | Description | | View |
|---|
| 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CS2, experimental) | | Spectrum |
|
|---|
| External Links |
|---|
| ChemSpider ID | 27079 |
|---|
| ChEMBL ID | Not Available |
|---|
| KEGG Compound ID | C00087 |
|---|
| Pubchem Compound ID | 29109 |
|---|
| Pubchem Substance ID | Not Available |
|---|
| ChEBI ID | 15138 |
|---|
| Phenol-Explorer ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | HMDB00598 |
|---|
| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
|---|
| EAFUS ID | Not Available |
|---|
| Dr. Duke ID | Not Available |
|---|
| BIGG ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| HET ID | Not Available |
|---|
| Food Biomarker Ontology | Not Available |
|---|
| VMH ID | Not Available |
|---|
| Flavornet ID | Not Available |
|---|
| GoodScent ID | Not Available |
|---|
| SuperScent ID | Not Available |
|---|
| Wikipedia ID | Sulfide |
|---|
| Phenol-Explorer Metabolite ID | Not Available |
|---|
| Duplicate IDS | Not Available |
|---|
| Old DFC IDS | Not Available |
|---|
| Associated Foods |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Biological Effects and Interactions |
|---|
| Health Effects / Bioactivities | Not Available |
|---|
| Enzymes | | Name | Gene Name | UniProt ID |
|---|
| Aconitate hydratase, mitochondrial | ACO2 | Q99798 | | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1 | NDUFB1 | O75438 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12 | NDUFA12 | Q9UI09 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1 | NDUFA1 | O15239 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2 | NDUFA4L2 | Q9NRX3 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3 | NDUFA3 | O95167 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8 | NDUFA8 | P51970 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4 | NDUFA4 | O00483 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 | NDUFA11 | Q86Y39 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6 | NDUFA6 | P56556 | | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4 | NDUFB4 | O95168 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7 | NDUFA7 | O95182 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2 | NDUFA2 | O43678 | | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial | NDUFB5 | O43674 | | NADH dehydrogenase [ubiquinone] 1 subunit C2 | NDUFC2 | O95298 | | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3 | NDUFB3 | O43676 | | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7 | NDUFB7 | P17568 | | Acyl carrier protein, mitochondrial | NDUFAB1 | O14561 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 | NDUFA5 | Q16718 | | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 | NDUFB9 | Q9Y6M9 | | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13 | NDUFA13 | Q9P0J0 | | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial | NDUFB11 | Q9NX14 | | NADH dehydrogenase (Ubiquinone) 1 beta subcomplex, 2, 8kDa | NDUFB2 | A4D1T5 |
|
|---|
| Pathways | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Biosynthesis | Not Available |
|---|
| Organoleptic Properties |
|---|
| Flavours | Not Available |
|---|
| Files |
|---|
| MSDS | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| General Reference | Not Available |
|---|
| Content Reference | |
|---|
