| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:09 UTC |
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| Update Date | 2025-03-25 00:51:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N5O5 |
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| Molecular Mass | 257.076 |
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| SMILES | Nc1nc(NC(CCC(=O)O)C(=O)O)nc(=O)[nH]1 |
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| InChI Key | NDFJCFBHZFZWAU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesn-aliphatic s-triazinesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alkylarylaminestriazinones |
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| Substituents | n-aliphatic s-triazinecarbonyl groupamino-1,3,5-triazinecarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycleaminotriazineheteroaromatic compoundglutamic acid or derivativessecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhalo-s-triazinedicarboxylic acid or derivativestriazinehydrocarbon derivative1,3,5-triazineprimary amineorganic nitrogen compoundaminetriazinoneorganooxygen compound |
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