| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:04 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H24N6O3 |
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| Molecular Mass | 324.191 |
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| SMILES | Cn1ccc(CC(N)C(=O)NC(CCCNC(=N)N)C(=O)O)c1 |
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| InChI Key | JSDMHTXOSQBPQX-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsarginine and derivativesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsfatty amidesguanidinesheteroaromatic compoundshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-methylpyrrolesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | fatty acylcarbonyl groupn-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundguanidineiminefatty amidealpha-amino acid or derivativessubstituted pyrroleorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboximidamidecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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