| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:50 UTC |
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| Update Date | 2025-03-21 18:04:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052401 |
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| Frequency | 96.2 |
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| Structure | |
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| Chemical Formula | C10H16N2O4 |
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| Molecular Mass | 228.111 |
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| SMILES | CC(C)CC1N=C(O)CC(C(=O)O)N=C1O |
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| InChI Key | QXSMZOIIMLIPIA-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 | cyclic peptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,4-diazepinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundalpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativespara-diazepineorganic oxygen compoundcyclic alpha peptidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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