| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:55 UTC |
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| Update Date | 2025-03-25 00:52:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191920 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H43N3O16 |
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| Molecular Mass | 641.2643 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC(=O)CNC(=O)C(N)CC(C)C)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | ZUQMOUMKIWOHJA-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 | peptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesacyl glycinesalpha amino acid amidesalpha amino acidsalpha-amino acyl ester of carbohydratesc-glucuronidescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketalsleucine and derivativesmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidemonosaccharidealpha-amino acid or derivativespyran carboxylic acidalpha peptidesaccharideorganic oxideacetalketalleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesc-glucuronidealcoholpyran carboxylic acid or derivativesalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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