| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:17 UTC |
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| Update Date | 2025-03-21 18:28:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072426 |
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| Frequency | 41.3 |
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| Structure | |
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| Chemical Formula | C9H17N3O4 |
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| Molecular Mass | 231.1219 |
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| SMILES | CN=C(NC)NCCCC(C(=O)O)C(=O)O |
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| InChI Key | JUMWNLRXLJDVNO-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbranched fatty acidscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganic 1,3-dipolar compoundcarboximidamidebranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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