| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:42 UTC |
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| Update Date | 2025-03-25 00:46:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152771 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N4O5S |
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| Molecular Mass | 294.0998 |
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| SMILES | N=C(NOCCC(N)C(=O)O)NC(CCS)C(=O)O |
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| InChI Key | OUYOSQRZGQPQQQ-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 acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfur compoundsshort-chain hydroxy acids and derivativesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboximidamidethia fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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