| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:44 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152861 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26N4O2S |
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| Molecular Mass | 338.1776 |
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| SMILES | N=C(NCCCCC(N)C(=O)O)NCCSCc1ccccc1 |
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| InChI Key | BSKIINABVDIOBA-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 | benzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersguanidineshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsulfenyl compounddialkylthioethercarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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