| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-05-31 14:32:10 -0600 |
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| Update Date | 2015-06-03 17:19:29 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | S-(2,2-Dichloro-1-hydroxy)ethyl glutathione |
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| Description | S-(2,2-dichloro-1-hydroxy)ethyl glutathione belongs to the class of 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. (inferred from compound structure) |
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| Structure | |
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| Synonyms: | - α-D-Galp2,6S2-(1->3)-β-D-Galp2S-(1->4)-α-D-Galp2,6S2-(1->3)-D-Galp2S
- (2S)-2-amino-5-(2R)-1-(carboxymethylamino)-3-(2,2-dichloro-1-Hydroxyethyl)sulfanyl-1-oxopropan-2-ylamino-5-oxopentanoate
- (2S)-2-amino-5-(2R)-1-(carboxymethylamino)-3-(2,2-dichloro-1-hydroxyethyl)sulfanyl-1-oxopropan-2-ylamino-5-oxopentanoic acid
- (2S)-2-amino-5-(2R)-1-(carboxymethylamino)-3-(2,2-dichloro-1-Hydroxyethyl)sulphanyl-1-oxopropan-2-ylamino-5-oxopentanoate
- (2S)-2-amino-5-(2R)-1-(carboxymethylamino)-3-(2,2-dichloro-1-Hydroxyethyl)sulphanyl-1-oxopropan-2-ylamino-5-oxopentanoic acid
- L-g-Glutamyl-S-(2,2-dichloro-1-hydroxyethyl)-L-cysteinylglycine
- L-gamma-Glutamyl-S-(2,2-dichloro-1-hydroxyethyl)-L-cysteinylglycine
- L-γ-Glutamyl-S-(2,2-dichloro-1-hydroxyethyl)-L-cysteinylglycine
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| Chemical Formula: | C12H19Cl2N3O7S |
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| Weight: | Average: 420.266
Monoisotopic: 419.032076081 |
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| InChI Key: | RULDRNMMLPUXQI-LBHDVABESA-N |
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| InChI: | InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1 |
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| CAS number: | Not Available |
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| IUPAC Name: | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,2-dichloro-1-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid |
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| Traditional IUPAC Name: | (2S)-2-amino-4-{[(1R)-1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-[(2,2-dichloro-1-hydroxyethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid |
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| SMILES: | [H][C@](N)(CCC(O)=N[C@@]([H])(CSC([H])(O)C(Cl)Cl)C(O)=NCC(O)=O)C(O)=O |
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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
- Halogenated fatty acid
- Hydroxy fatty acid
- Dicarboxylic acid or derivatives
- Fatty amide
- Fatty acyl
- N-acyl-amine
- Fatty acid
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Chlorohydrin
- Amino acid
- Halohydrin
- Sulfenyl compound
- Carboxylic acid
- Organochloride
- Hydrocarbon derivative
- Alkyl halide
- Alkyl chloride
- Primary aliphatic amine
- Organic nitrogen compound
- Organic oxygen compound
- Carbonyl group
- Organohalogen compound
- Amine
- Organic oxide
- Organopnictogen compound
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Primary amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State: | Not Available |
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| Charge: | -3 |
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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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| SMPDB Pathways: | Not Available |
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| KEGG Pathways: | Not Available |
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| EcoCyc Pathways: | Not Available |
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| Concentrations |
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| 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: | |
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