| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:39 UTC |
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| Update Date | 2025-03-25 01:01:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20N4O6S2 |
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| Molecular Mass | 368.0824 |
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| SMILES | NC(=NC(CCC(=O)O)C(=O)O)C(N)CSSCC(N)C(=O)O |
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| InChI Key | OWANORPRIKLQMM-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundorganic 1,3-dipolar compoundglutamic acid or derivativescarboximidamidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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