| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:49 UTC |
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| Update Date | 2025-03-21 18:35:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107477 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C9H11N5O4 |
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| Molecular Mass | 253.0811 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CC(O)C(=O)O)=N2 |
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| InChI Key | ITRGVKRRJZEBRN-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acidiminealpha-hydroxy acidpyrimidonepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compoundalcoholvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundhydroxy acidsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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