| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:37 UTC |
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| Update Date | 2025-03-25 00:55:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214342 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H19NO6S |
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| Molecular Mass | 281.0933 |
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| SMILES | CCOC(=O)C(O)C(O)CSCCC(N)C(=O)O |
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| InChI Key | NXXMKRVHFGOIIF-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 acyclic compounds |
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| Alternative Parents | 1,2-diolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidmonosaccharideorganosulfur compoundbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholsulfenyl compounddialkylthioetherhydroxy acidfatty acid esterthia fatty acidorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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