| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:02 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O5S2 |
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| Molecular Mass | 280.0188 |
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| SMILES | CC(O)C(NC(=O)C1CSSC(=O)N1)C(=O)O |
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| InChI Key | YRHUAENHDQUIGF-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdithiazinanesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativesthiolactones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidthiolactoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholdithiazinanecarbonic acid derivativeazacyclen-acyl-alpha-amino acidhydroxy acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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