| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:10 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O4S |
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| Molecular Mass | 250.0987 |
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| SMILES | CC(=O)NCCC(=O)NCCCCS(=O)O |
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| InChI Key | VJWGXMNEOLRYTJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalkanesulfinic acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupsulfinic acid derivativeorganosulfur compoundcarboxamide groupbeta amino acid or derivativessulfinic acidalkanesulfinic acid or derivativessecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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