| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:55 UTC |
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| Update Date | 2025-03-21 18:33:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095419 |
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| Frequency | 55.3 |
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| Structure | |
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| Chemical Formula | C12H22N4O5 |
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| Molecular Mass | 302.159 |
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| SMILES | NC(=NCCCC(=O)C(=O)O)NCCCCC(N)C(=O)O |
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| InChI Key | BJQCSXRHGKSZDK-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acylsguanidineshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidinealpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamideamino fatty acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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