| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:04 UTC |
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| Update Date | 2025-03-21 18:07:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069502 |
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| Frequency | 43.4 |
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| Structure | |
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| Chemical Formula | C11H20N2O7 |
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| Molecular Mass | 292.1271 |
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| SMILES | CC(=O)NC1C(NC(C)C(=O)O)OC(CO)C(O)C1O |
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| InChI Key | GIAALOJNMZYTAI-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharidehemiaminalsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholsecondary aliphatic aminesecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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