| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:13 UTC |
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| Update Date | 2025-03-21 18:35:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103507 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C12H24N6O5S2 |
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| Molecular Mass | 396.125 |
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| SMILES | N=C(N)NCCCC(NC(=O)C(N)CSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | TVMLWKNLXPVBLS-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 acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativesfatty acids and conjugatesguanidineshydrocarbon derivativesiminesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboximidamidecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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