| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:27 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O5 |
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| Molecular Mass | 321.1325 |
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| SMILES | O=C(NC(CCN1CCCC1C(=O)O)C(=O)O)c1ccccn1 |
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| InChI Key | SAYUOBGGPWLYSF-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesalpha amino acidsamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsproline and derivativespyridinecarboxylic acids and derivativespyrrolidine carboxylic acidssecondary carboxylic acid amidestrialkylamines |
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| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid2-heteroaryl carboxamideorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compound2-halopyridinepyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-acyl-alpha-amino acidn-alkylpyrrolidineheteroaromatic compoundtertiary aliphatic aminehydroxypyridineamino fatty acidcarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativespyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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