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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB001001 |
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Identification |
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| Name: |
Glutathione episulfonium ion |
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| Description: | Glutathione episulfonium ion is a member of the chemical class known as Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
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Structure |
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| Synonyms: | - Glutathione episulphonium ion
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Chemical Formula: |
C12H20N3O6S |
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| Average Molecular Weight: |
334.369 |
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| Monoisotopic Molecular
Weight: |
334.107281077 |
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| InChI Key: |
PWVNIRRYQGQWMG-YUMQZZPRSA-O |
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| InChI: | InChI=1S/C12H19N3O6S/c13-7(12(20)21)1-2-9(16)15-8(6-22-3-4-22)11(19)14-5-10(17)18/h7-8H,1-6,13H2,(H3-,14,15,16,17,18,19,20,21)/p+1/t7-,8-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 1-[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]thiiran-1-ium |
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Traditional IUPAC Name: |
glutathione episulfonium ion |
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| SMILES: | [H][C@](N)(CCC(O)=N[C@@]([H])(C[S+]1CC1)C(O)=NCC(O)=O)C(O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
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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 |
Peptides |
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| Alternative Parents |
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| Substituents |
- Alpha peptide
- N-acyl-aliphatic-alpha amino acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- D-alpha-amino acid
- Alpha-amino acid or derivatives
- Alpha-amino acid
- Heterocyclic fatty acid
- Amino fatty acid
- Fatty acyl
- Fatty acid
- Dicarboxylic acid or derivatives
- Organoheterocyclic compound
- Thiirane
- Carboxylic acid
- Carboximidic acid derivative
- Carboximidic acid
- Hydrocarbon derivative
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Amine
- Organic cation
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
| Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | HMDB60479 | | Pubchem Compound ID | 159079 | | Kegg ID | C14874 | | ChemSpider ID | 139917 | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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