| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:11 UTC |
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| Update Date | 2025-03-21 18:05:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055492 |
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| Frequency | 57.7 |
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| Structure | |
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| Chemical Formula | C15H23N5O2S |
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| Molecular Mass | 337.1572 |
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| SMILES | CSCCNc1nc2cccn(CCCCC(N)C(=O)O)c-2n1 |
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| InChI Key | MXZHRRQHHUVTLV-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmedium-chain fatty acidsmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminessulfenyl compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidpolyhalopyridinefatty acidimidazopyridineorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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