| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:26 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199961 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N6O3 |
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| Molecular Mass | 256.1284 |
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| SMILES | Cn1c(NCCCC(N)C(=O)O)nc(N)nc1=O |
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| InChI Key | CMSDSPMQQYGOAB-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-aliphatic s-triazinesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundssecondary 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 compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhalo-s-triazinetriazinehydrocarbon derivative1,3,5-triazineprimary aliphatic amineprimary amineorganic nitrogen compoundaminetriazinoneorganooxygen compound |
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