| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:53 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185040 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H27N6O3+ |
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| Molecular Mass | 339.2139 |
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| SMILES | N=C(N)NCCCC(O)c1c[n+](CCCCC(N)C(=O)O)ccn1 |
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| InChI Key | AZNLWXUUNYUORA-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 | amino fatty acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsguanidinesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsiminesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundspyrazinessecondary alcohols |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidguanidineiminefatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundcarboximidamideamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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