| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:06 UTC |
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| Update Date | 2025-03-25 01:01:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247374 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O4S |
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| Molecular Mass | 275.094 |
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| SMILES | NCCCCC(NC1=NC(C(=O)O)CS1)C(=O)O |
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| InChI Key | KZYOGAMNSBCPSQ-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesisothioureasmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmeta-thiazolineheterocyclic fatty acidfatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundisothioureaazacycleorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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