| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:21 UTC |
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| Update Date | 2025-03-21 18:34:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101365 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C14H14N6O3 |
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| Molecular Mass | 314.1127 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1cccc(C(=O)O)c1)=N2 |
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| InChI Key | PLGGAHDZFNKRHZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidiminebenzoylpyrimidonecarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativesorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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