| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:06 UTC |
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| Update Date | 2025-03-25 00:46:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156023 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO4S |
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| Molecular Mass | 221.0722 |
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| SMILES | CSCCC(N)C(=O)CC(O)C(=O)O |
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| InChI Key | HPMBLNNWDRAKOY-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdialkylthioethersfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidorganosulfur compoundketoneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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