| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:36 UTC |
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| Update Date | 2025-03-25 00:57:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223547 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13N3OS |
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| Molecular Mass | 187.0779 |
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| SMILES | NC(=O)C(N)CCCCN=C=S |
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| InChI Key | ZBBBRSBKRQQJFW-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 | carbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesisothiocyanatesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundisothiocyanatecarbonyl groupfatty amideorganic 1,3-dipolar compoundorganosulfur compoundcarboxamide grouppropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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