| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:07 UTC |
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| Update Date | 2025-03-25 00:58:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26N2O12 |
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| Molecular Mass | 438.1486 |
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| SMILES | CC(=O)NC1C(O)CC(NC(CCC(=O)O)C(=O)O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | CYMPFLFOLAHNRX-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsc-glucuronidescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativespyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholsecondary aliphatic aminepyran carboxylic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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