| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:41 UTC |
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| Update Date | 2025-03-25 00:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230255 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N3O3S2 |
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| Molecular Mass | 371.1337 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=S)N2CCCC2C(=O)O)o1 |
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| InChI Key | IGYTYJOSYGKTFR-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrrolidine carboxylic acidssulfenyl compoundsthioureastrialkylamines |
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| Substituents | furancarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundaralkylamineorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativessulfenyl compoundazacycledialkylthioetherheteroaromatic compoundtertiary aliphatic amineoxacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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