| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:47 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25N5O6S |
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| Molecular Mass | 451.1526 |
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| SMILES | NC(CCC(=O)NC(CSN=O)C(Cc1c[nH]c2ccccc12)NCC(=O)O)C(=O)O |
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| InChI Key | VFYCJXNDCFIULA-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesamino acidindolefatty amideorganosulfur compoundnitrosothiolorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundorganic s-nitroso compoundsecondary aliphatic amineorganic nitroso compoundsulfenyl compoundazacycleheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaminenitrosothiol-group |
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