| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:20 UTC |
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| Update Date | 2025-03-25 00:55:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H26N4O4S |
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| Molecular Mass | 334.1675 |
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| SMILES | CN=C(NCCCCC(N)C(=O)O)NC(CCSC)C(=O)O |
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| InChI Key | QOSBMFDWQFAAHY-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 | methionine 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 derivativesiminesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundcarboximidamidethia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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