| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:48 UTC |
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| Update Date | 2025-03-25 00:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221707 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O6S |
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| Molecular Mass | 250.0511 |
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| SMILES | O=C(O)CCC(=O)CSCCC(O)C(=O)O |
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| InChI Key | OISAYAKQPQIXMN-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsketonesmonosaccharidesorganic oxidessecondary alcoholsshort-chain keto acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidorganosulfur compoundcarboxylic acid derivativeketonesaccharideorganic oxidehydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidgamma-keto acidthia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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