| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:29 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236670 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N6O5S |
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| Molecular Mass | 394.1059 |
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| SMILES | CS(=O)(=O)c1ccc(NCC2CNc3[nH]c(N)nc(=O)c3N2)c(C(=O)O)c1 |
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| InChI Key | UTRFKLTXSUZABY-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 | 1-carboxy-2-haloaromatic compoundsamino acidsazacyclic compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespyrimidonessecondary alkylarylaminessulfonesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidbenzoylpyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
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