| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:33 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N4O9S |
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| Molecular Mass | 452.1577 |
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| SMILES | NC(CCC(=O)NC(CSN=O)C(NCC(=O)O)C(O)CCCCC(=O)O)C(=O)O |
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| InChI Key | ZUGUFSRSBHBFHB-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonoalkylaminesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesamino acidfatty amidetricarboxylic acid or derivativesorganosulfur compoundnitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundalcoholsecondary aliphatic amineorganic nitroso compoundsulfenyl compoundsecondary aminecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaminenitrosothiol-group |
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