| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:10 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188009 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O2S |
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| Molecular Mass | 283.1354 |
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| SMILES | CC(=O)NCCC(=O)NCCSCc1ccn(C)c1 |
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| InChI Key | ILQUCFTZZVGKCP-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrrolessulfenyl compounds |
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| Substituents | carbonyl groupn-methylpyrrolearomatic heteromonocyclic compoundsubstituted pyrroleorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundthioetherpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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