| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:26 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252665 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N5O3 |
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| Molecular Mass | 223.0705 |
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| SMILES | NC(=O)c1cnc2c(n1)NCC(C(=O)O)N2 |
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| InChI Key | LWMFZGBDKTUKLB-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespyrazinecarboxamidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidamino acid2-heteroaryl carboxamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundpyrazinecarboxamideazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinepyrazine carboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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