| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:28 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152216 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N3O7S3 |
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| Molecular Mass | 417.0698 |
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| SMILES | NC(CSCC(NCC(=O)O)C(O)CSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | XFLIPAGLKAKUHQ-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 | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfidesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary alcoholssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminedialkyldisulfideorganic oxygen compoundthioetherorganic disulfidecysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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