| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:49 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205418 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O5 |
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| Molecular Mass | 243.0855 |
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| SMILES | NC1=NC(C(=O)N2CC(O)CC2C(=O)O)CO1 |
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| InChI Key | FDFIGFYFSBCSAZ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxazolinesproline and derivativespropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidinepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboximidamidecarboxamide groupoxacycleoxazolinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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