| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:10 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220251 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H21N5O5S |
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| Molecular Mass | 323.1263 |
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| SMILES | CS(=O)(=O)CC(NC(=O)C(N)CCCNC(=N)N)C(=O)O |
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| InChI Key | URCQGYTUBVCDMG-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 acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsarginine and derivativescarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty amidealpha-amino acid or derivativesorganosulfur compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboximidamidecarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfone |
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