| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:07 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N4O2S |
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| Molecular Mass | 246.115 |
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| SMILES | N=C(N)NCCCC1CSCC(C(=O)O)N1 |
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| InChI Key | FGMMXEXVOKNDTD-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylaminesdialkylthioethersguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiomorpholine carboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidguanidineimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiomorpholine-3-carboxylic acidorganoheterocyclic compound1,4-thiazinanesecondary aliphatic amineazacycledialkylthioethercarboximidamidesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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