| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:04 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N4O2S |
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| Molecular Mass | 348.162 |
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| SMILES | NC(CCCCN1CCN(c2nc3ccccc3s2)CC1)C(=O)O |
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| InChI Key | HCFAOMVDYOUVRR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | n-arylpiperazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-amino-1,3-thiazolesalpha amino acidsamino acidsazacyclic compoundsbenzenoidsbenzothiazolescarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivative1,3-thiazol-2-amineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty aciddialkylarylaminetertiary amineazole1,3-benzothiazoleazacyclen-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compound1,3-thiazolaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundthiazoleaminen-arylpiperazineorganooxygen compound |
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