| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:07 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 | DMID02238092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O5S |
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| Molecular Mass | 206.0249 |
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| SMILES | O=C(O)CC(CC(=O)CS)C(=O)O |
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| InChI Key | ISFDVVGWSMXUEB-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganosulfur compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativealkylthiolorganooxygen compoundmedium-chain keto acid |
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