| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:14 UTC |
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| Update Date | 2025-03-25 00:48:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N5O9 |
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| Molecular Mass | 415.1339 |
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| SMILES | CCNC(=O)C1OC(n2cnc(C(=O)NC(CC(=O)O)C(=O)O)c2N)C(O)C1O |
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| InChI Key | DALNVLBTVGWKCD-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharide2-heteroaryl carboxamidesaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazole1,2-dioln-substituted imidazolen-acyl-alpha amino acid or derivativesalcoholvinylogous amideazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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