| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:13 UTC |
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| Update Date | 2025-03-21 18:35:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105983 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C20H26N8O5 |
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| Molecular Mass | 458.2026 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NCCCC(N)C(=O)O)cc1)N2C=O |
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| InChI Key | XNMYRCGVVAEMSB-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 compoundsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylpyrimidonealpha-amino acid or derivativescarboxylic acid derivativebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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