| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:41 UTC |
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| Update Date | 2025-03-21 18:38:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119261 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C11H14N6O5 |
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| Molecular Mass | 310.1026 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNC(CC(=O)O)C(=O)O)=N2 |
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| InChI Key | XVMLVSLSUYVEQG-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acidiminepyrimidonepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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