| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:59 UTC |
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| Update Date | 2025-03-25 00:54:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205774 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N3O2S |
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| Molecular Mass | 229.0885 |
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| SMILES | NCCCc1ncc(CC(N)C(=O)O)s1 |
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| InChI Key | LFEHRFLUDDLJAX-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 | 2,5-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | 2,5-disubstituted 1,3-thiazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
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