| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:15 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206364 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H30N4O4S |
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| Molecular Mass | 362.1988 |
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| SMILES | NC(CCCCNC(=S)N1CCN(CCOCCO)CC1)C(=O)O |
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| InChI Key | FRTFWFPTJPYWRU-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganopnictogen compoundsthioureastrialkylamines |
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| Substituents | fatty acylcarbonyl groupthioureaethercarboxylic acidamino acidheterocyclic fatty acidfatty acidorganosulfur compoundmedium-chain hydroxy aciddialkyl etherorganic oxidepiperazinealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidtertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpiperazinetertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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