| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:54 UTC |
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| Update Date | 2025-03-25 00:53:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O3S2 |
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| Molecular Mass | 307.1024 |
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| SMILES | CNC(=CC(C)=O)NCCCSSCC(N)C(=O)O |
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| InChI Key | OWKFJPZWMLXFMS-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 | acryloyl compoundsalpha amino acidsamino acidscarboxylic acidsdialkylaminesdialkyldisulfidesenoneshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsvinylogous amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonevinylogous amidesecondary aliphatic aminesulfenyl compoundsecondary aminedialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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