| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:12 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199406 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12N2O4 |
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| Molecular Mass | 176.0797 |
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| SMILES | N=CNC(CC(=O)O)C(O)CO |
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| InChI Key | QJBSQOFNROXZES-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboximidamidescarboxylic acidsformamidineshydrocarbon derivativeshydroxy fatty acidsiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidiminefatty acidamidineorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidprimary alcohol1,2-diolalcoholcarboximidamidebeta amino acid or derivativesformamidinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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