| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:23 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163324 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O5S |
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| Molecular Mass | 276.078 |
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| SMILES | O=C(O)C(CCN1CCC1C(=O)O)N=C(O)CS |
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| InChI Key | JBPQNSTZUPTPBB-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsamino acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativestrialkylamines |
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| Substituents | fatty acylcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidfatty acidazetidinecarboxylic acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic amineorganic 1,3-dipolar compoundamino fatty acidazetidineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundaminealkylthiolorganooxygen compound |
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