| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H32N4O2S2 |
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| Molecular Mass | 412.1967 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=S)NCCCCC(N)C(=O)O)cc1 |
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| InChI Key | WVLRODDZKULKOC-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesbenzylaminescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylmethylaminessulfenyl compoundsthioureastrialkylamines |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupthioureacarboxylic acidamino acidfatty acidorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidtertiary aminesulfenyl compounddialkylthioethertertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminethioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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