| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:30 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202375 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21NO5S |
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| Molecular Mass | 279.114 |
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| SMILES | CSCCC(NCCCCC(O)C(=O)O)C(=O)O |
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| InChI Key | LIRFYCXPBLTNDC-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 | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidmonosaccharidefatty acidorganosulfur compoundmedium-chain hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminesulfenyl compounddialkylthioetherhydroxy acidsecondary aminethia fatty acidorganic oxygen compoundthioethermethionine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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