| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:23 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252540 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O5 |
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| Molecular Mass | 337.1638 |
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| SMILES | NC(CCCCCNc1ccc(C(=O)NCC(=O)O)cc1)C(=O)O |
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| InChI Key | DQVATLTYZIDUSU-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylfatty acidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhippuric acid or derivativesbenzoic acid or derivativessecondary aminecarboxamide groupamino fatty acidn-acylglycinesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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