| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:17 UTC |
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| Update Date | 2025-03-21 18:29:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077261 |
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| Frequency | 38.0 |
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| Structure | |
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| Chemical Formula | C8H13N3O2S |
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| Molecular Mass | 215.0728 |
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| SMILES | NC(CCCc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | REURPHNJKXLVQF-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesimidazolethionesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidimidazole-2-thioneorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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