| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:12 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H24N4O6S2 |
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| Molecular Mass | 408.1137 |
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| SMILES | NC(CSSCC(NC(=O)CC1CCCN1)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | NIYOHTSJVGDPTK-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 | acyl glycines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrrolidinessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundalpha-amino acid amideazacyclesecondary aminecarboxamide groupbeta amino acid or derivativesn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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