| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:32 UTC |
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| Update Date | 2025-03-21 18:36:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111619 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C17H19N7O5 |
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| Molecular Mass | 401.1448 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)OCC(N)C(=O)O)cc1)=N2 |
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| InChI Key | HDTYZVWFKZXQLH-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 | alpha amino acidsamino acidsazacyclic compoundsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesketiminesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminebenzoylpyrimidonebenzoate esteralpha-amino acid or derivativescarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativesorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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