| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:47 UTC |
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| Update Date | 2025-03-21 18:34:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102472 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C9H17N3O5S |
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| Molecular Mass | 279.0889 |
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| SMILES | NC(CCCNC(=O)SCC(N)C(=O)O)C(=O)O |
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| InChI Key | VDRBGGZTWRAFFD-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compoundfatty acidorganosulfur compoundorganic oxideorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactoneorganooxygen compound |
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