| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:11 UTC |
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| Update Date | 2025-03-21 18:04:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048593 |
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| Frequency | 68.2 |
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| Structure | |
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| Chemical Formula | C12H19N3O5 |
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| Molecular Mass | 285.1325 |
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| SMILES | NC(CCCCn1c(CO)cnc1CC(=O)O)C(=O)O |
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| InChI Key | NUGMFZAQPGTATD-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 | 1,2,5-trisubstituted imidazolesamino fatty acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidmedium-chain hydroxy acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundamino fatty acidorganic oxygen compound1,2,5-trisubstituted-imidazoletrisubstituted imidazoledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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