| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:48 UTC |
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| Update Date | 2025-03-21 18:36:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112294 |
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| Frequency | 31.8 |
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| Structure | |
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| Chemical Formula | C13H19N3O2 |
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| Molecular Mass | 249.1477 |
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| SMILES | NC(=NCCCCC(N)C(=O)O)c1ccccc1 |
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| InChI Key | LNYMSYJHRBFUQD-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 homomonocyclic compounds |
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| Alternative Parents | amidinesamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty acidamidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic 1,3-dipolar compoundcarboximidamideamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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