| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:12 UTC |
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| Update Date | 2025-03-21 18:37:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118117 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C8H18N4O5S |
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| Molecular Mass | 282.0998 |
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| SMILES | NC(=NCCS(=O)(=O)O)NCCCC(N)C(=O)O |
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| InChI Key | ICBXUIPTTNQVDX-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 | arginine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsfatty acids and conjugatesguanidineshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidguanidineorganosulfonic acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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