| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:40 UTC |
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| Update Date | 2025-03-21 18:30:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080632 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C11H23N5O5 |
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| Molecular Mass | 305.1699 |
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| SMILES | N=C(NOCCC(N)C(=O)O)NC(CCCCN)C(=O)O |
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| InChI Key | PGQRSGVAQMDEBU-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 acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidcarboximidamideamino fatty acidmedium-chain hydroxy acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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