| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:08 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N4O5S |
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| Molecular Mass | 348.1467 |
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| SMILES | CC(=O)NC(CSCCC(N)=NCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | XQVXHHILUXNCHQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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