| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:24:41 UTC |
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| Update Date | 2025-03-24 20:18:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01406158 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C5H9N3O |
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| Molecular Mass | 127.0746 |
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| SMILES | NC(=O)CC1CN=CN1 |
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| InChI Key | QSHIMERDIPEBMO-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acids and derivativesformamidineshydrocarbon derivativesimidazolinesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidecarbonyl groupazacycleorganic 1,3-dipolar compoundamidinecarboximidamidecarboxamide groupbeta amino acid or derivativespropargyl-type 1,3-dipolar organic compoundformamidineorganic oxideorganic oxygen compound2-imidazolineimidazolinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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