| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:43 UTC |
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| Update Date | 2025-03-25 00:51:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N4O4 |
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| Molecular Mass | 296.1485 |
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| SMILES | CC(C)CC(N)C(=NC(Cc1cnc[nH]1)C(=O)O)C(=O)O |
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| InChI Key | PMCWUQYMAWSEMW-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidiminefatty acidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundamino fatty acidbranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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