| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:20 UTC |
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| Update Date | 2025-03-21 18:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029738 |
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| Frequency | 125.5 |
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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(C(O)CC(=O)O)=N2 |
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| InChI Key | AEPBBMGZEVWYPS-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 | amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl 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 acidiminepyrimidonepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic 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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