| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:58 UTC |
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| Update Date | 2025-03-25 01:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242322 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H27N3O5S |
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| Molecular Mass | 373.1671 |
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| SMILES | CC(C)CN(CC(O)CN(C)CC(=O)O)S(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | JKJILFRICRVMPQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalpha amino acidsamino acidsaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcoholstrialkylamines |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary aminebenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compound1,2-aminoalcoholtertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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