| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:43 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159593 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O8 |
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| Molecular Mass | 322.1376 |
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| SMILES | O=CNC(CCCNCC1(O)OC(CO)C(O)C1O)C(=O)O |
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| InChI Key | QTRGITFTALJBKR-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 | n-formyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidmonosaccharidefatty acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesn-formyl-alpha-amino acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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