| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:22 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151995 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N4O4 |
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| Molecular Mass | 284.1485 |
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| SMILES | NC(=O)c1cn(CCCCC(N)C(=O)O)c(CO)c1N |
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| InChI Key | LWUMAYNMNMADGU-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 acidsamino fatty acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxamidessubstituted pyrrolesvinylogous amides |
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| Substituents | aromatic alcoholprimary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesamino acidheterocyclic fatty acidfatty acidsubstituted pyrrolemedium-chain hydroxy acidorganic oxideorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundcarboxamide groupamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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