| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:57 UTC |
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| Update date | 2017-01-19 02:36:26 UTC |
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| FoodComEx ID | PC000495 |
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| FoodDB Record | FDB022166 |
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| Chemical Information |
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| Name | Cysteine glutathione disulfide |
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| Description | Cysteineglutathione disulfide is a molecule that is formed upon oxidative stress of glutathione, that will form mixed disulfides with protein thiol groups, causing reversible S-glutathionylation. [HMDB] |
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| CAS Number | 13081-14-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| CYSSG | hmdb | | Cysteine-glutathione disulfide | hmdb | | Cysteineglutathione disulfide | hmdb |
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| Chemical Formula | C13H22N4O8S2 |
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| IUPAC name | (2S)-2-amino-4-{[(1R)-2-[(2-amino-2-carboxyethyl)disulfanyl]-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid |
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| InChI Identifier | InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7?,8-/m0/s1 |
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| InChI Key | BNRXZEPOHPEEAS-PPSBICQBSA-N |
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| Isomeric SMILES | N[C@@H](CCC(=O)N[C@@H](CSSCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O |
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| Average Molecular Weight | 426.466 |
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| Monoisotopic Molecular Weight | 426.08790508 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Oligopeptides |
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| Alternative Parents | |
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| Substituents | - Alpha-oligopeptide
- Gamma-glutamyl alpha peptide
- Glutamine or derivatives
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Cysteine or derivatives
- Alpha-amino acid
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- L-alpha-amino acid
- Tricarboxylic acid or derivatives
- N-acyl-amine
- Fatty amide
- Fatty acyl
- Carboxamide group
- Amino acid
- Dialkyldisulfide
- Organic disulfide
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Carboxylic acid
- Sulfenyl compound
- Organic nitrogen compound
- Primary aliphatic amine
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Primary amine
- Carbonyl group
- Hydrocarbon derivative
- Amine
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 10 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Cayman Chemical | 17582 |
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| Toronto Research Chemicals | C995500 |
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