| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:04 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176370 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O7 |
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| Molecular Mass | 266.1114 |
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| SMILES | NCC(NCC1(O)OC(CO)C(O)C1O)C(=O)O |
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| InChI Key | LMGJIXGLSBCPKW-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidmonosaccharidesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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