| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:50 UTC |
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| Update Date | 2025-03-21 18:32:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090367 |
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| Frequency | 47.9 |
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| Structure | |
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| Chemical Formula | C10H16N4O3 |
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| Molecular Mass | 240.1222 |
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| SMILES | COC(=O)C(Cc1c[nH]cn1)NC(=O)C(C)N |
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| InChI Key | ATKIAUGHCWEWHA-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 | peptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acid estersalpha amino acidsazacyclic compoundscarbonyl compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundalpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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