| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:41 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13N5O2S |
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| Molecular Mass | 243.079 |
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| SMILES | CNC(N)=Nc1nc(CC(N)C(=O)O)cs1 |
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| InChI Key | YRPADELCZXXNJQ-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 | 2,4-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsguanidinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compound2,4-disubstituted 1,3-thiazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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