| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:29 UTC |
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| Update Date | 2025-03-25 01:00:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H27N3O9 |
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| Molecular Mass | 393.1747 |
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| SMILES | CC(=O)NC1C(O)C(O)C(CO)OC1N(CCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | WHMJYBQZQABSMX-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino fatty acidscarbamic acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidcarbamic acidheterocyclic fatty acidmonosaccharidefatty acidmedium-chain hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholcarbonic acid derivativecarboxamide groupamino fatty acidoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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