| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:10 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149181 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO5S |
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| Molecular Mass | 303.114 |
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| SMILES | CCCC=CCC(O)=NC(CCSCC(=O)O)C(=O)O |
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| InChI Key | RRPGCRSZUJHJFQ-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 | carbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundthia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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