| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:03 UTC |
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| Update Date | 2025-03-21 18:31:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088538 |
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| Frequency | 32.0 |
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| Structure | |
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| Chemical Formula | C9H17N4OS+ |
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| Molecular Mass | 229.1118 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c(=S)[nH]1)C(N)=O |
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| InChI Key | KEMNQWAXDATZQX-UHFFFAOYSA-O |
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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 acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary carboxylic acid amidestetraalkylammonium saltsthioureas |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupthioureaaromatic heteromonocyclic compoundfatty amideimidazole-2-thioneorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazolealpha-amino acid amidetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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