| Record Information |
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| Version | 1.0 |
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| Creation date | 2020-04-21 17:23:40 UTC |
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| Update date | 2020-09-17 15:41:52 UTC |
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| Primary ID | FDB112415 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 2Fe-2S |
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| Description | 2Fe-2S belongs to the class of inorganic compounds known as transition 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 is a transition metal. 2Fe-2S is a weakly acidic compound (based on its pKa). In humans, 2fe-2S is involved in lps and citrate signaling and inflammation. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Not Available | Not Available |
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| Predicted Properties | |
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| Chemical Formula | Fe2H8S6 |
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| IUPAC name | bis(lambda2-iron(2+) ion) disulfane tetrasulfanide |
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| InChI Identifier | InChI=1S/2Fe.6H2S/h;;6*1H2/q2*+2;;;;;;/p-4 |
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| InChI Key | MZMMVZPHZTYDNI-UHFFFAOYSA-J |
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| Isomeric SMILES | S.S.[SH-].[SH-].[SH-].[SH-].[Fe++].[Fe++] |
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| Average Molecular Weight | 312.11 |
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| Monoisotopic Molecular Weight | 311.764899 |
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| Classification |
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| Description | Belongs to the class of inorganic compounds known as transition 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 is a transition metal. |
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| Kingdom | Inorganic compounds |
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| Super Class | Mixed metal/non-metal compounds |
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| Class | Transition metal organides |
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| Sub Class | Transition metal sulfides |
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| Direct Parent | Transition metal sulfides |
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| Alternative Parents | |
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| Substituents | - Transition metal sulfide
- Inorganic hydride
- Inorganic sulfide
- Inorganic salt
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties - Experimental |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | 2Fe-2S, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-0229000000-2a39383ba0fbf6495ef3 | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0009000000-e1dfd6148b5a05ccd179 | 2016-09-14 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0009000000-e1dfd6148b5a05ccd179 | 2016-09-14 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-0009000000-e1dfd6148b5a05ccd179 | 2016-09-14 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0009000000-f4fc756d8f0417789dfb | 2016-09-14 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0009000000-f4fc756d8f0417789dfb | 2016-09-14 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-0009000000-f4fc756d8f0417789dfb | 2016-09-14 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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