| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:48 UTC |
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| Update Date | 2025-03-25 00:48:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2O4S |
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| Molecular Mass | 274.0987 |
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| SMILES | CC(C)CC(NC1=NC(C(=O)O)CSC1)C(=O)O |
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| InChI Key | FCWWJWHYYQUYCE-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesimidolactamsmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidamidinepropargyl-type 1,3-dipolar organic compoundorganic oxideleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundmethyl-branched fatty acidazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamidebranched fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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