| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:52 UTC |
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| Update Date | 2025-03-21 18:04:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052470 |
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| Frequency | 62.0 |
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| Structure | |
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| Chemical Formula | C10H16N4O4 |
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| Molecular Mass | 256.1172 |
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| SMILES | Cn1cnc(CC(N)C(=O)NC(CO)C(=O)O)c1 |
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| InChI Key | SQGHGDCPBHVHKY-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 acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativesbeta-hydroxy acidorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxy acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundserine or derivativesorganooxygen compound |
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