| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:49 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205402 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15N5O4S2 |
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| Molecular Mass | 321.0565 |
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| SMILES | NC(N)=Nc1nc(CS(=O)(=O)CCC(N)C(=O)O)cs1 |
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| InChI Key | MRFNLQIRYMKDSF-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 acidsfatty acylsguanidinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfonesthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compound2,4-disubstituted 1,3-thiazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compoundsulfone |
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