| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:15 UTC |
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| Update Date | 2025-03-21 18:04:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051073 |
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| Frequency | 64.0 |
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| Structure | |
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| Chemical Formula | C17H19N7O4 |
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| Molecular Mass | 385.1499 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)CC(N)C(=O)O)cc1)=N2 |
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| InChI Key | ZKSNHXJGMNLJBS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesketiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidiminebenzoylpyrimidonealpha-amino acid or derivativespteridinecarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminegamma-keto acidbutyrophenonemonocarboxylic acid or derivativesketo acidphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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