| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:08 UTC |
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| Update Date | 2025-03-25 00:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O8S |
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| Molecular Mass | 358.0471 |
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| SMILES | O=C(O)CC(N=CC=C1C=C(C(=O)O)NC(C(=O)O)CS1)C(=O)O |
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| InChI Key | CYTGPXGXLUTVLJ-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 heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspara thiazepinespropargyl-type 1,3-dipolar organic compoundstetracarboxylic acids and derivativesthioenol ethers |
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| Substituents | carbonyl groupcarboxylic acidamino acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycletetracarboxylic acid or derivativesorganic 1,3-dipolar compoundsecondary aminethioenoletherorganic oxygen compoundpara-thiazepineaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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