| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:28 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O5S2 |
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| Molecular Mass | 308.0501 |
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| SMILES | CS(=O)CCCN=C=S1CC(C(=O)O)NC1C(=O)O |
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| InChI Key | LZWFYYQSMNCLDK-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compoundssulfoxidesthiazolidines |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfinyl compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundsulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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