| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:10 UTC |
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| Update Date | 2025-03-25 00:53:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199346 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28N4O4 |
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| Molecular Mass | 364.2111 |
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| SMILES | Cc1cccc(C)c1NC(=O)CNC(=O)CNCCCCC(N)C(=O)O |
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| InChI Key | JEWTWADCZGENQB-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsamino fatty acidsanilidescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesm-xylenes |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidn-arylamidealpha-amino acid or derivativesxyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amiden-acyl-alpha-amino acidm-xylenesecondary aminecarboxamide groupamino fatty acidn-substituted-alpha-amino acidaromatic homomonocyclic compoundalpha-dipeptideanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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