| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:11 UTC |
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| Update Date | 2025-03-21 18:36:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113195 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C10H18N4O6S |
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| Molecular Mass | 322.0947 |
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| SMILES | N=C(NCCSCC(N)C(=O)O)NC(CC(=O)O)C(=O)O |
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| InChI Key | MRYIAESFNJIHEA-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdialkylthioethersguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminetricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboximidamideorganic oxygen compoundthioethercysteine or derivativesaspartic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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