| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:06 UTC |
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| Update Date | 2025-03-21 18:04:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048372 |
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| Frequency | 68.6 |
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| Structure | |
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| Chemical Formula | C9H11N5O5 |
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| Molecular Mass | 269.076 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(C(O)C(O)C(=O)O)=N2 |
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| InChI Key | NCQJYEBAUZIMMB-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 | 1,2-diolsalpha hydroxy acids and derivativesamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acidiminealpha-hydroxy acidmonosaccharidepyrimidonepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compound1,2-diolalcoholvinylogous 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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