| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:24 UTC |
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| Update Date | 2025-03-25 01:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245721 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O4S |
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| Molecular Mass | 340.1457 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)O |
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| InChI Key | ROLUHJSVQJHNIU-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaminosulfonyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidindoleorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineorganoheterocyclic compoundazacycleaminosulfonyl compoundindole or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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