| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:36 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197994 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O6S |
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| Molecular Mass | 314.0573 |
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| SMILES | O=C(O)CCC(N=CC=C1C=C(C(=O)O)NCS1)C(=O)O |
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| InChI Key | LYENPMLJBCMXBS-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-thiazinesaldiminesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthioenol ethersthiohemiaminal derivativestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmeta-thiazineorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundglutamic acid or derivativessecondary aminethioenoletherorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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