Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 19:29:48 UTC |
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Update Date | 2022-09-22 18:35:04 UTC |
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HMDB ID | HMDB0341173 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Met Glu Met |
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Description | Met Glu Met belongs to the class of organic compounds known as peptides. Peptides 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. Based on a literature review very few articles have been published on Met Glu Met. |
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Structure | [H][C@](N)(CCSC)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CCSC)C(O)=O InChI=1S/C15H27N3O6S2/c1-25-7-5-9(16)13(21)17-10(3-4-12(19)20)14(22)18-11(15(23)24)6-8-26-2/h9-11H,3-8,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H27N3O6S2 |
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Average Molecular Weight | 409.52 |
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Monoisotopic Molecular Weight | 409.134127949 |
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IUPAC Name | (4S)-4-{[(2S)-2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]-C-hydroxycarbonimidoyl}butanoic acid |
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Traditional Name | (4S)-4-{[(2S)-2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]-C-hydroxycarbonimidoyl}butanoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](N)(CCSC)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CCSC)C(O)=O |
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InChI Identifier | InChI=1S/C15H27N3O6S2/c1-25-7-5-9(16)13(21)17-10(3-4-12(19)20)14(22)18-11(15(23)24)6-8-26-2/h9-11H,3-8,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 |
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InChI Key | RAAVFTFEAUAVIY-DCAQKATOSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as peptides. Peptides 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-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Alpha-amino acid or derivatives
- Thia fatty acid
- Fatty acyl
- Fatty acid
- Dicarboxylic acid or derivatives
- Amino acid
- Amino acid or derivatives
- Dialkylthioether
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Sulfenyl compound
- Thioether
- Carboxylic acid
- Carboximidic acid derivative
- Carboximidic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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