| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:27 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152194 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N3O5+ |
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| Molecular Mass | 300.1554 |
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| SMILES | NC(CCc1c[n+](CCCCC(O)C(=O)O)c[nH]1)C(=O)O |
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| InChI Key | XUMAAJNFSHGGBM-UHFFFAOYSA-O |
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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 | alpha hydroxy acids and derivativesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonosaccharidesn-substituted imidazolesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidmedium-chain hydroxy acidsaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundhydroxy acidamino fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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