| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:55 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162239 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO4S |
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| Molecular Mass | 217.0409 |
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| SMILES | O=C(O)CC1SCC2C(C(=O)O)NC12 |
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| InChI Key | UHYSPYBIVBDQRB-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidamino acidazetidinecarboxylic acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary amineazetidineorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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