| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:31 UTC |
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| Update Date | 2025-03-25 00:56:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216390 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O6S |
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| Molecular Mass | 334.1199 |
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| SMILES | CCC(O)=NC(CCSC)C(O)=NC(CCC(=O)O)C(=O)O |
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| InChI Key | QHYBWZHFXLVNAW-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 acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundglutamic acid or derivativesorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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