| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:44 UTC |
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| Update Date | 2025-03-25 01:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253312 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O5S |
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| Molecular Mass | 272.0467 |
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| SMILES | O=C(O)C1CSC(C(=O)N2CCCC2C(=O)O)=N1 |
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| InChI Key | OHIWVTXKRGHQIY-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidstertiary carboxylic acid amidesthiazolines |
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| Substituents | carbonyl groupcarboxylic acidmeta-thiazolinen-acylpyrrolidinepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesazacyclen-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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