| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:16 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118301 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C7H9NO8S |
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| Molecular Mass | 267.0049 |
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| SMILES | O=C(O)C1=C(OS(=O)(=O)O)CCC(C(=O)O)N1 |
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| InChI Key | AHESKZAHEKKSFL-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfuric acid monoesterstetrahydropyridines |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineorganic sulfuric acid or derivativesazacycletetrahydropyridinesecondary amineorganic oxygen compounddicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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