| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:55 UTC |
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| Update Date | 2025-03-25 00:54:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207919 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O5S |
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| Molecular Mass | 318.1249 |
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| SMILES | CC(C)CC(NC(=O)C1CSCCC(C(=O)O)N1)C(=O)O |
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| InChI Key | BJVRJBCMVAWLRX-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesleucine and derivativesmethyl-branched fatty acidsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxideleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidazacyclen-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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