| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:55 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O5S |
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| Molecular Mass | 291.0889 |
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| SMILES | NC(=O)CCCCC1C2NC(C(=O)O)C(N2)S1(=O)=O |
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| InChI Key | IPGIGHKBCBOOQD-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 | aminalsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesfatty amideshydrocarbon derivativesimidazolidinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessulfonesthiazolidinesthiomorpholine carboxylic acids and derivatives |
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| Substituents | imidazolidineprimary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidamino acidfatty amideaminalaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiomorpholine-3-carboxylic acidorganoheterocyclic compound1,4-thiazinanesecondary aliphatic amineazacyclesecondary aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminesulfonethiazolidine |
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