| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:29 UTC |
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| Update Date | 2025-03-25 00:51:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O5S |
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| Molecular Mass | 261.0419 |
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| SMILES | NC1=NC(C(=O)NC(CC(=O)O)C(=O)O)CS1 |
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| InChI Key | JZZJWPHDAJDHKL-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesisothioureasn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidesthiazolecarboxamidesthiazolesthiazolines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmeta-thiazolineheterocyclic fatty acidfatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesisothioureaazacyclen-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazolecarboxamidethiazoleorganooxygen compound |
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