| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:51 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H31N3O5S |
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| Molecular Mass | 413.1984 |
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| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C1CCCN1)S(=O)(=O)O |
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| InChI Key | IQCRDPGQKOSMCT-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminespyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amidessulfuric acid monoamides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesproline or derivativesalcoholsecondary aliphatic amineorganic sulfuric acid or derivativesalpha-amino acid amideazacyclesecondary aminecarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsulfuric acid monoamidesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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