| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:20 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202027 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H27N3O3S3 |
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| Molecular Mass | 405.1215 |
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| SMILES | CSCCC(NC(=S)NCCSCc1ccc(CN(C)C)o1)C(=O)O |
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| InChI Key | YYLJYYAGKONRFQ-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaralkylaminescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundsthia fatty acidsthioureastrialkylamines |
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| Substituents | fatty acylfurancarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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