| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:39 UTC |
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| Update Date | 2025-03-25 01:01:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248602 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N3O4S2 |
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| Molecular Mass | 295.066 |
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| SMILES | NC(=NCCCSSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | INIXAPSYZHCFNE-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 | amidinescarbonyl compoundscarboximidamidescarboxylic acidsdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundorganic 1,3-dipolar compoundcarboximidamidedialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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