| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:34 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239098 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N3O4S |
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| Molecular Mass | 273.0783 |
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| SMILES | NC(=O)CCNC(=O)C1CCSCC(C(=O)O)=N1 |
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| InChI Key | BFQIZPRHVHESGM-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amideketiminecarbonyl groupcarboxylic acidiminealpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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