| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:29 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N4O4S2 |
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| Molecular Mass | 336.0926 |
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| SMILES | NC(CSSCC(N)C(=O)NC(=O)C1CCCN1)C(=O)O |
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| InChI Key | XFVXRJVLQJGZQM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesdicarboximideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganosulfur compoundcarboxylic acid imide, n-unsubstitutedorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidepyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid amidesulfenyl compoundazacyclesecondary aminecarboxylic acid imidedialkyldisulfidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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