| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:32 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197834 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N3O4S |
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| Molecular Mass | 305.1409 |
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| SMILES | CCC(C)C(NC(=N)NC(CCSC)C(=O)O)C(=O)O |
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| InChI Key | RXLNHKFZPHZNAZ-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 | isoleucine 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 derivativesiminesmethionine and derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesmethyl-branched fatty acidsulfenyl compounddialkylthioethercarboximidamidebranched fatty acidthia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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