| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:53 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N5O5S |
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| Molecular Mass | 349.142 |
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| SMILES | N=C(N)NCCCC(NC(=O)CSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | TUNRZUPPQIGJET-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 acidsdialkylthioethersdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganosulfur compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboximidamidecarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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