| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:41 UTC |
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| Update Date | 2025-03-21 18:41:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135608 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O4S |
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| Molecular Mass | 336.1144 |
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| SMILES | CSCCC(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | HCBKGUQZKFWKHZ-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspyrrolessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidindoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundindole or derivativessecondary aminethia fatty acidorganic oxygen compoundthioetherpyrrolemethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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