| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:28 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184099 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N3O4S |
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| Molecular Mass | 261.0783 |
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| SMILES | NC(CCCCNC(N=C=S)C(=O)O)C(=O)O |
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| InChI Key | AUHJIYKZOOTHMH-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 acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesisothiocyanatesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundisothiocyanatecarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic amineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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