| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:23 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21N3O8S2 |
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| Molecular Mass | 399.077 |
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| SMILES | NC(CCC(=O)C(O)C(=O)O)NC(CSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | JSIXZVMMBKXENJ-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha amino acidsalpha hydroxy acids and derivativesalpha-hydroxy ketonesaminalsamino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylaminesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativesaminalorganosulfur compoundalpha-hydroxy ketonebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminesulfenyl compoundhydroxy acidsecondary aminedialkyldisulfideorganic oxygen compoundorganic disulfideketo acidcysteine or derivativesacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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