| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:18 UTC |
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| Update Date | 2025-03-21 18:29:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079725 |
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| Frequency | 36.5 |
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| Structure | |
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| Chemical Formula | C15H25N3O3S |
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| Molecular Mass | 327.1617 |
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| SMILES | CC(=O)NCCC(=O)NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | NFDLXIZDYVGVLL-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesaralkylaminescarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundacetamidesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupbeta amino acid or derivativesoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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