| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:05 UTC |
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| Update Date | 2025-03-25 00:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205991 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O5S |
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| Molecular Mass | 262.0623 |
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| SMILES | NC(CCC(=O)N1SCCC1C(=O)O)C(=O)O |
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| InChI Key | ONDTYOHBYJTCSB-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativesheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesazacycleheterocyclic fatty acidfatty acidalpha-amino acid or derivativesalpha-dipeptideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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