| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:58 UTC |
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| Update Date | 2025-03-25 00:48:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H29N5O10 |
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| Molecular Mass | 487.1914 |
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| SMILES | CC(=O)NC1C(O)C(O)C(CO)OC1n1cnc(CC(NC(=O)CCC(N)C(=O)O)C(=O)O)c1 |
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| InChI Key | RHTSXQBFBMBYJY-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundfatty amidemonosaccharidealpha-amino acid or derivativessaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamideazolen-substituted imidazolen-acyl-alpha amino acid or derivativesalcoholazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminealpha-dipeptideoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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