| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:01 UTC |
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| Update Date | 2025-03-21 18:38:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120031 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C8H17N5O5 |
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| Molecular Mass | 263.123 |
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| SMILES | N=C(NOCCC(N)C(=O)O)NC(N)CC(=O)O |
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| InChI Key | IFEYJOCKBYJNKR-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminefatty acidalpha-amino acid or derivativescarboximidamidebeta amino acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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