| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:11 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2O4S |
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| Molecular Mass | 218.0361 |
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| SMILES | N=C1SCCN1C(CC(=O)O)C(=O)O |
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| InChI Key | VAXJYVRUDHMMGV-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesiminesisothioureasorganic oxidesorganopnictogen compoundsthiazolidines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidiminefatty acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundisothioureaazacyclecarboximidamideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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