| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:49 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H19N3O5S |
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| Molecular Mass | 281.1045 |
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| SMILES | NC(CCSCC(O)C(N)NCC(=O)O)C(=O)O |
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| InChI Key | QSBMYFOJXPAGBH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminalsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidaminalorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminethia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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