| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:30 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238968 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N5O3 |
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| Molecular Mass | 239.1018 |
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| SMILES | NC(=O)c1ncn(C2CCC(C(=O)O)N2)c1N |
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| InChI Key | HVLZUTVLKRUJFI-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidespyrrolidine carboxylic acidsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid2-heteroaryl carboxamideorganic oxideimidazolepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl grouppyrrolidineorganoheterocyclic compoundazolen-substituted imidazoleproline or derivativesvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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