| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:51 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164381 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N2O2 |
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| Molecular Mass | 156.0899 |
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| SMILES | CC(N=C1CCNC1)C(=O)O |
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| InChI Key | DKUAKPPTRVWRGV-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidinessecondary ketimines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acidiminepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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