| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:16 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240741 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N3O3S |
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| Molecular Mass | 257.0834 |
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| SMILES | CC(=O)Nc1nc(CCCC(N)C(=O)O)cs1 |
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| InChI Key | VSBXOFYGCGKPLC-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted thiazolesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundheterocyclic fatty acidfatty acidn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundacetamideazoleazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compound2,4-disubstituted 1,3-thiazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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