| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:38 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21N3O4S |
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| Molecular Mass | 303.1253 |
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| SMILES | O=C(O)CNC(O)CCCCC1SCC2NC(=O)NC21 |
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| InChI Key | GHKNISVOPMDSMG-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershemiaminalshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinecarbonyl groupcarboxylic acidamino acidthiophenehemiaminalaliphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalkanolaminesecondary aliphatic aminecarbonic acid derivativeazacycledialkylthioethersecondary aminethienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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