| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:06 UTC |
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| Update Date | 2025-03-25 01:00:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242618 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO3S |
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| Molecular Mass | 243.0929 |
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| SMILES | CC(=O)CCC1SCC2NC(C(=O)O)CC21 |
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| InChI Key | ICAROGAGKPKIGV-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 compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidsthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidamino acidketonealiphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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