| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:11 UTC |
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| Update Date | 2025-03-25 00:51:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185720 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N6O3 |
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| Molecular Mass | 344.1597 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccccc1CCC(=O)O)N2 |
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| InChI Key | AZZOAUGRVOSHDP-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 compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesphenylpropanoic acidsprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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