| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:25 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199927 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N3O5S |
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| Molecular Mass | 277.0732 |
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| SMILES | Cn1cncc1CC(NCCS(=O)(=O)O)C(=O)O |
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| InChI Key | SHNANFHLMJPXDL-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfonic acidorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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