| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:58 UTC |
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| Update Date | 2025-03-25 00:49:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O4 |
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| Molecular Mass | 268.1172 |
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| SMILES | CC(NC(CCc1cnc[nH]1)=NCC(=O)O)C(=O)O |
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| InChI Key | BTOOOJOCJINLQU-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamidinepropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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