| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:17 UTC |
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| Update Date | 2025-03-21 18:06:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062819 |
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| Frequency | 56.8 |
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| Structure | |
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| Chemical Formula | C8H16N4O3 |
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| Molecular Mass | 216.1222 |
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| SMILES | NC(N)=NCCCC(=O)CC(N)C(=O)O |
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| InChI Key | DFIUXWZHEFRMSR-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarboximidamidescarboxylic acidsfatty acylsgamma-keto acids and derivativesguanidineshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidinepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamideamino fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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